4-Methylthiobenzamide-S-oxide
Basic information
- CAS
75554-00-6- Standard SMILES
Cc1ccc(C(N)=S=O)cc1- InChIKey
WTGWOZOXYNUTSS-UHFFFAOYSA-N- Molecular formula
- C8H9NOS
- Average molar mass
- 167.23 g/mol
- Monoisotopic mass
- 167.04048508
Overview
metabolite of 4-methylthiobenzamide
Names & identifiers
- Preferred name
- 4-Methylthiobenzamide-S-oxide
- IUPAC
- (4-methylphenyl)-sulfinylmethanamine
- English name
- 4-methylthiobenzamide-S-oxide
- Molecular weight
- 0
Names & synonyms
4-Methylthiobenzamide-S-oxide4-Pmtbso75554-00-6Benzenecarbothioamide, 4-methyl-, S-oxideRefChem:99953DTXSID009970071-(4-Methylphenyl)-1-(oxo-lambda~4~-sulfanylidene)methanaminePARA-METHYLTHIOBENZAMIDE-S-OXIDE
Database identifiers
- CAS
75554-00-6- PubChem CID
- 150642
- DTXSID
DTXSID00997007
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
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Related reactions
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Compound notes
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