BENZOIC ACID, 2-MERCAPTO-3-METHYL-

Modify Date: 2025-12-05 00:18:32

BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure
BENZOIC ACID, 2-MERCAPTO-3-METHYL- structure
Common Name BENZOIC ACID, 2-MERCAPTO-3-METHYL-
CAS Number 77149-11-2 Molecular Weight 168.21300
Density N/A Boiling Point N/A
Molecular Formula C8H8O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-methyl-2-sulfanylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C8H8O2S
Molecular Weight 168.21300
Exact Mass 168.02500
PSA 76.10000
LogP 1.98190
InChIKey IKSLUORXVBMJFU-UHFFFAOYSA-N
SMILES Cc1cccc(C(=O)O)c1S

 Synthetic Route

~63%

BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: Institute Of Medicinal Molecular Design, Inc.; ShionogiandCo., Ltd. Patent: EP2208728 A1, 2010 ; Location in patent: Page/Page column 46 ;

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BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: Guise, G. Bruce; Ollis, W. David; Peacock, Judith A.; Stephanatou, Julia Stephanidou; Stoddart, J. Fraser Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , # 8 p. 1637 - 1648

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BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: USV Pharmaceutical Corporation Patent: US4440941 A1, 1984 ;

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BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: Collman, James P.; Groh, Susan E. Journal of the American Chemical Society, 1982 , vol. 104, # 5 p. 1391 - 1403

~55%

BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: Liepa, Andris J.; Nguyen, Oanh; Saubern, Simon Australian Journal of Chemistry, 2005 , vol. 58, # 12 p. 864 - 869

~%

BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: Guise, Bruce G.; Ollis, David W.; Peacock, Judith A.; Stephanatou, Julia Stephanidou; Stoddart, Fraser J. Tetrahedron Letters, 1980 , vol. 21, p. 4203 - 4206

~%

BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: Liepa, Andris J.; Nguyen, Oanh; Saubern, Simon Australian Journal of Chemistry, 2005 , vol. 58, # 12 p. 864 - 869

~%

BENZOIC ACID, 2-MERCAPTO-3-METHYL- Structure

BENZOIC ACID, 2...

CAS#:77149-11-2

Literature: Liepa, Andris J.; Nguyen, Oanh; Saubern, Simon Australian Journal of Chemistry, 2005 , vol. 58, # 12 p. 864 - 869

 Synonyms

2-mercapto-3-benzoic acid
Benzoic acid,2-mercapto-3-methyl
3-methyl-2-mercaptobenzoic acid
2-Mercapto-3-methylbenzoic acid
3-methylthiosalicylic acid
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