Basic information
- CAS
50539-80-5- Standard SMILES
CSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
XGRHWGZYFDQGOO-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.09291458
Names & identifiers
- Preferred name
- Carbamic acid, methyl(methylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-methylsulfanylcarbamate
Names & synonyms
N-(Methylsulfenyl)carbofuranCarbamic acid, methyl(methylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-80-5DTXSID301985602,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(methylthio)carbamateRefChem:332516DTXCID90121051SCHEMBL55194392,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl(methylsulfanyl)carbamate
Database identifiers
- CAS
50539-80-5- PubChem CID
- 39704
- DTXSID
DTXSID30198560- Nikkaji
- J69.342A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…