Methyl 4-Mercaptobenzoate

Modify Date: 2025-08-25 19:13:38

Methyl 4-Mercaptobenzoate Structure
Methyl 4-Mercaptobenzoate structure
Common Name Methyl 4-Mercaptobenzoate
CAS Number 6302-65-4 Molecular Weight 168.21300
Density 1.202g/cm3 Boiling Point 266.7ºC at 760 mmHg
Molecular Formula C8H8O2S Melting Point 33-36ºC
MSDS N/A Flash Point 167.9ºC

 Names

Name methyl 4-sulfanylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.202g/cm3
Boiling Point 266.7ºC at 760 mmHg
Melting Point 33-36ºC
Molecular Formula C8H8O2S
Molecular Weight 168.21300
Flash Point 167.9ºC
Exact Mass 168.02500
PSA 65.10000
LogP 1.76190
Index of Refraction 1.574
InChIKey BTZOMWXSWVOOHG-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(S)cc1

 Safety Information

Hazard Codes T
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Methyl 4-MercaptobenzoateBioassay

View more

Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
Name: Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); ...
Source: ChEMBL
Target: Cryptococcus neoformans
External Id: CHEMBL4296190
Name: Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB m...
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL4296189
Name: Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4296184
Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
Name: Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4296185
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 Synonyms

methyl 4-thiobenzoate
methyl 4-mercaptobenzoate
4-mercaptobenzoate
methyl p-mercaptobenzoate
4-mercapto-benzoic acid methyl ester
methyl-4-sulfanylbenzoate
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