ChemicalBook--->CAS DataBase List--->72679-02-8

72679-02-8

72679-02-8 Structure

72679-02-8 Structure
IdentificationBack Directory
[Name]

(S)-(-)-3-(Benzoylthio)-2-methylpropanoic acid
[CAS]

72679-02-8
[Synonyms]

(S)-3-(benzoylthio)-2-methylpropionic acid
(2S)-3-(benzoylthio)-2-methylpropionic acid
(2S)-3-(Benzoylthio)-2-Methylpropanoic Acid
(S)-(-)-3-(Benzoylthio)-2-methylpropanoic acid
Propanoic acid, 3-(benzoylthio)-2-methyl-, (2S)-
(S)-3-(Benzoylthio)-2-methylpropionic Acid
(2S)-3-(benzoylthio)-2-methylpropionic acid, S-(-)-3-benzoylthio-2-methylpropanoic acid, (S)-3-(benzoylthio)isobutyric acid, (2S)-S-benzoyl-3-mercapto-2-methylpropanoyc acid, (-)-(S)-3-(benzoylthio)-2-methylpropanoic acid, (S)-(-)-3-benzoylthio-2-methylpropanoic acid, (2S)-3-benzoylthio-2-methylpropionic acid
[EINECS(EC#)]

276-764-6
[Molecular Formula]

C11H12O3S
[MDL Number]

MFCD00038376
[MOL File]

72679-02-8.mol
[Molecular Weight]

224.28
Chemical PropertiesBack Directory
[Melting point ]

61-63°C
[Boiling point ]

367.5±34.0 °C(Predicted)
[density ]

1.249±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

Chloroform, Ethanol, Methanol
[form ]

Solid
[pka]

4.20±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/t8-/m1/s1
[InChIKey]

BCAYPPFBOJCRPN-MRVPVSSYSA-N
[SMILES]

C(O)(=O)[C@H](C)CSC(=O)C1=CC=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2930.90.2900
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Captopril intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(-)-3-(Benzoylthio)-2-methylpropanoic acid(72679-02-8)1HNMR
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