Carbamic acid, (methoxythio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Basic information
- CAS
86627-62-5- Standard SMILES
COSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
IICSVZNWLMLCAZ-UHFFFAOYSA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.0878292
Names & identifiers
- Preferred name
- Carbamic acid, (methoxythio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methoxysulfanyl-N-methylcarbamate
Names & synonyms
86627-62-5Carbamic acid, (methoxythio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester(Methoxythio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID202357162,3-Dihydro-2,2-dimethyl-7-benzofuranyl (methoxysulfenyl)(methyl)carbamateRefChem:332241DTXCID501582072,2-Dimethyl-2,3-dihydrobenzofuran-7-yl methoxythio(methyl)carbamateSCHEMBL111868522,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (methoxysulfanyl)(methyl)carbamate
Database identifiers
- CAS
86627-62-5- PubChem CID
- 198628
- DTXSID
DTXSID20235716
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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