(2S)-3-(acetylsulfanyl)-2-methylpropanoic acid

Name	3-(Acetylthio)-2-methylpropanoic acid
Synonyms	3-(Acetylthio)-2-methylpropanoic acid D-3-acetylthio-2-methylpropionic acid (S)-β-(Acetylmercapto)isobutyric acid 3-(acetylthio)-2-methylpropionic acid D-3-(Acetylthio)-2-methylpropanoic acid d-(-)-3-acetylthio-2-methylpropionic acid 3-(acetylsulfanyl)-2-methylpropanoic acid D-(S)-3-Acetylthio-2-methylpropionic acid (-)-3-(Acetylthio)-2-methylpropanoic acid D-(-)-3-Acetylthio-2-methylpropionic acid D(-)S-ACETYL-BETA-MERCAPTO ISOBUTYRIC ACID (2S)-3-(acetylsulfanyl)-2-methylpropanoate D-(-)-S-Acetyl-beta-mercaptoisobutyric acid D-(-)-3-ACETYLSULFANYL-2-METHYLPROPIONIC ACID (2S)-3-(acetylsulfanyl)-2-methylpropanoic acid D-(S)-3-ACETYL-3-MERCAPTO-2-METHYL PROPANOIC ACID
CAS	76497-39-7 33325-40-5
EINECS	278-480-8
InChI	InChI=1/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/p-1/t4-/m1/s1

Molecular Formula	C6H10O3S
Molar Mass	162.21
Density	1.178g/mLat 20°C(lit.)
Melting Point	5 °C
Boling Point	120-132 °C (1 mmHg)
Specific Rotation(α)	-46 º (c=1, 96% EtOH)
Flash Point	>230°F
Water Solubility	INSOLUBLE
Vapor Presure	0.0013mmHg at 25°C
Appearance	liquid
pKa	4.22±0.10(Predicted)
Storage Condition	Store at 0-5°C
Refractive Index	n20/D 1.490
Use	Used as pharmaceutical intermediates, mainly used in the production of captopril API

Risk Codes	R34 - Causes burns R36 - Irritating to the eyes R24/25 -
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	UN 3265 8/PG 2
WGK Germany	3
HS Code	29309070