3-(Methylsulfanyl)phenyl methylcarbamate
Basic information
- CAS
3938-33-8- Standard SMILES
CNC(=O)Oc1cccc(SC)c1- InChIKey
HXAFVRKJWYFPPF-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.05104977
Names & identifiers
- Preferred name
- 3-(Methylsulfanyl)phenyl methylcarbamate
- IUPAC
- (3-methylsulfanylphenyl) N-methylcarbamate
Names & synonyms
3-(methylsulfanyl)phenyl methylcarbamate3938-33-8DTXSID80299091RefChem:275709DTXCID80250228NSC128139NSC-128139
Database identifiers
- CAS
3938-33-8- PubChem CID
- 278482
- DTXSID
DTXSID80299091
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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