s-Methyl(4-ethoxyphenyl)carbamothioate
Basic information
- CAS
6944-86-1- Standard SMILES
CCOc1ccc(NC(=O)SC)cc1- InChIKey
ZAAAYBXMTZATCV-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669983
Names & identifiers
- Preferred name
- s-Methyl(4-ethoxyphenyl)carbamothioate
- IUPAC
- S-methyl N-(4-ethoxyphenyl)carbamothioate
Names & synonyms
6944-86-1s-methyl(4-ethoxyphenyl)carbamothioateNSC59316DTXSID30289129NSC-59316S-Methyl (4-ethoxyphenyl)carbamothioate
Database identifiers
- CAS
6944-86-1- PubChem CID
- 246362
- DTXSID
DTXSID30289129
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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