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

Basic Information

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CAS Number

72679-02-8

Molecular Formula

C11H12O3S

Molecular Weight

224.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

67.0 to 71.0 deg-C

Boiling Point

385°C at 760 mmHg

SMILES

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CC(CSC(=O)C1=CC=CC=C1)C(=O)O

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

LogP

2.2807000000000004

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

234

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

MFCD00038376
(2S)-S-benzoyl-3-mercapto-2-methylpropanoic acid
BCAYPPFBOJCRPN-MRVPVSSYSA-N
(S)-3-(Benzoylthio)-2-methylpropionic acid
AC-2143
AKOS015919709
AMY40471
SCHEMBL5695631
Propanoic acid, 3-(benzoylthio)-2-methyl-, (2S)-
NS00091728
CS-0146386
(S)-3-(Benzoylthio)-2-methylpropanoic acid
(2S)-3-benzoylsulfanyl-2-methylpropanoic acid
72679-02-8
Q-101027
(S)-(-)-3-(Benzoylthio)-2-methylpropionic acid
AS-18527
(S)-(-)-3-benzoylthio-2-methylpropanoicacid
(S)-(-)-3-(BENZOYLTHIO)-2-METHYLPROPANOIC ACID
F11542
A866223
(2S)-3-benzoylthio-2-methylpropionic acid
(2s)-3-(benzoylthio)-2-methylpropionic acid
B5315
(S)-(-)-3-benzoylthio-2-methylpropanoic acid
s-(-)-3-benzoylthio-2-methylpropanoic acid
DTXSID00993509
S-(-)-3-Benzoylthio-2-methylpropionic acid
EINECS 276-764-6
(S)-3-Benzoylthio-2-methylpropanoic acid
BCP27983

MDL Number

MFCD00038376

Customs Code

2930909090

FAQ

What is (2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8)?

(2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8) is a chemical compound with a molecular structure featuring a benzoylsulfanyl group attached to a 2-methylpropanoic acid moiety. It is a white crystalline solid with a melting point of approximately 160°C. This compound is used in various applications such as pharmaceuticals, research, and analytical chemistry.

What are the main uses of (2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8)?

(2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8) is primarily used in pharmaceuticals for intermediate steps in drug synthesis, in research for chemical studies, and in analytical chemistry for reagent preparation. It is also utilized in some industrial processes, though its application in industry is less common.

Is (2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8) safe?

(2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8) is generally safe when handled with proper precautions. Users should avoid contact with skin and eyes, and inhaling its dust. It is important to follow the manufacturer's safety guidelines and use appropriate protective equipment.

How should (2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8) be stored?

(2S)-3-(Benzoylsulfanyl)-2-methylpropanoic acid (CAS: 72679-02-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 30°C to maintain its stability.