Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester
Basic information
- CAS
6842-34-8- Standard SMILES
CNC(=O)Oc1ccccc1C1OCCS1- InChIKey
HRKDQJLXVNMUPN-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.06161445
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl ester
- IUPAC
- [2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate
Names & synonyms
6842-34-8Carbamic acid, methyl-, o-(1,3-oxathiolan-2-yl)phenyl esterRefChem:1080930BRN 1317604o-(1,3-Oxathiolan-2-yl)phenyl methylcarbamateSCHEMBL11796687DTXSID609880372-(1,3-Oxathiolan-2-yl)phenyl hydrogen methylcarbonimidate
Database identifiers
- CAS
6842-34-8- PubChem CID
- 201791
- DTXSID
DTXSID60988037
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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