delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino-

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Names and Identifiers

Name	5-Amino-1,3,4-thiadiazole-2-thiol
Synonyms	AMTD NSC 21402 5-Amino-2-thiol-1,3,4-thiadiazole 5-Amino-1,3,4-thiadiazole-2-thiol 1,3,4-Thiadiazole-2-thiol, 5-amino- 2-Amino-5-mercapto-1,3,4-thiadiazole 5-Amino-2-mercapto-1,3,4-thiadiazole 5-Amino-3H-[1,3,4]thiadiazole-2-thione 5-amino-1,3,4-thiadiazole-2(3H)-thione 1,3,4-Thiadiazole-2(3H)-thione, 5-amino- ACETYLAMINE(2-)-5-MERCAPTO-1,3,4-THIADAZOLE delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino-
CAS	2349-67-9
EINECS	219-078-4
InChI	InChI=1/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
InChIKey	GDGIVSREGUOIJZ-UHFFFAOYSA-N

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Physico-chemical Properties

Molecular Formula	C2H3N3S2
Molar Mass	133.2
Density	1.503 (estimate)
Melting Point	235°C (dec.)(lit.)
Boling Point	242.3±23.0 °C(Predicted)
Flash Point	100.3°C
Water Solubility	insoluble
Solubility	2g/l
Vapor Presure	0.0342mmHg at 25°C
Appearance	Powder
Color	White or pale yellow to cream
BRN	81728
pKa	7.80±0.20(Predicted)
PH	3.9 (2g/l, H2O, 20℃)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.5800 (estimate)
MDL	MFCD00003108
Physical and Chemical Properties	2-amino -5-mercapto -1,3, 4-thiadiazole neat was a white crystalline solid, m. P. 235 ℃ (decomposition), soluble in hot water and pyridine, dimethyl formamide and other organic solvents, slightly soluble in methanol, acetone.
Use	Used as pharmaceutical, pesticide intermediates

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37 - Wear suitable protective clothing and gloves.
WGK Germany	3
RTECS	XI4550000
FLUKA BRAND F CODES	9-13-23
TSCA	Yes
HS Code	29349990
Hazard Note	Irritant

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Nature

Open Data Verified Data

crystallization, melting point 233~234 C (decomposition).

Last Update：2024-01-02 23:10:35

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Preparation Method

Open Data Verified Data

obtained by cyclization of bisthiourea. The above-mentioned cyclization reaction is advantageously carried out in 13% to 1 s% hydrochloric acid. The quality of bisthiourea has influence on the quality of cyclization products.

Last Update：2022-01-01 10:57:42

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Use

Open Data Verified Data

The pharmaceutical industry for the synthesis of acetazolamide diuretics. Also used to determine the density of metals.

Last Update：2022-01-01 10:57:42

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Safety

Open Data Verified Data

LD50 250mg/kg (mouse oral). Irritating.

Last Update：2022-01-01 10:57:42

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Reference Information

NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
Uses	2-amino-5-mercapto-1, 3,4-thiadiazole is an intermediate of the fungicide leaf cumazole. Pesticides and pharmaceutical intermediates. Used as an intermediate in medicine and pesticide
Production method	Dithiourea is obtained by condensation and rearrangement of hydrazine sulfate and ammonium thiocyanate, and then by cyclization reaction. The technological process is as follows:(1) condensation and rearrangement ammonium thiocyanate and hydrazine sulfate are added to water, heated to 75 ℃, kept for 2.5h, and refluxed for 2h at 100 ℃. Add 45% sulfuric acid, continue to reflux for 1h, cool to 40 ℃, discharge, continue to cool to below 25 ℃, adjust to pH3-4 with sodium hydroxide solution, filter, and wash the filter cake with ice water until pH4-5 to obtain crude dithiourea. Add water and activated carbon to the crude product, decolorize at 90 ℃ for 1h, filter, and cool and crystallize the filtrate. Filtration, the filtrate is used as reaction water. The filter cake is dried to obtain a fine product of dithiourea. 60% yield. (2) Cyclization Mix water (or dithiourea refined mother liquor) and hydrochloric acid evenly, add 0.07 parts (about 1/15 of the total) dithiourea at 60 ℃. Add calcium phosphite (or sodium phosphite) at 80°C, and add the rest of dithiourea at 85°C. Backflow for 4h. Cool to 20 ℃, filter, wash the filter cake with ice water until pH4-5, and dry to obtain 2-amino-5-mercapto-1, 3,4-thiadiazole. the preparation method is to add a small amount of hydrochloric acid and a small amount of catalyst in the reaction kettle, then add an appropriate amount of solvent, then add dithiourea under stirring, heat and rise to 105 ℃ for reflux, finish the reaction, stir and cool, filter, wash, suck and filter until dry, and dry to obtain the finished product.
category	toxic substances
toxicity classification	highly toxic
acute toxicity	abdominal cavity-mouse LD50: 250 mg/kg
flammability hazard characteristics	combustible; combustion produces toxic nitrogen oxides and sulfur oxide smoke
storage and transportation characteristics	warehouse ventilation and low temperature drying
fire extinguishing agent	dry powder, foam, sand, carbon dioxide, mist water

Last Update：2024-04-09 20:44:15

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino-

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino-

5-Amino-1,3,4-thiadiazole-2-thiol

CAS: 2349-67-9

Molecular Formula: C2H3N3S2

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Names and Identifiers

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Physico-chemical Properties

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Risk and Safety

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Nature

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Preparation Method

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Use

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Safety

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Reference Information

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5-Amino-1,3,4-thiadiazole-2-thiol

CAS: 2349-67-9

Molecular Formula: C2H3N3S2

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Names and Identifiers

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Physico-chemical Properties

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Risk and Safety

delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Nature

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Preparation Method

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Use

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Safety

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino- - Reference Information

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delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino-