Carbamic acid, (((2-cyanoethyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Basic information
- CAS
82560-71-2- Standard SMILES
CN(CCC#N)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
NOWAKQNCNDQCGV-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.13036271
Names & identifiers
- Preferred name
- Carbamic acid, (((2-cyanoethyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(methyl)amino]sulfanyl-N-methylcarbamate
- English name
- (2,2-dimethyl-3H-benzofuran-7-yl) N-(2-cyanoethyl-methyl-amino)sulfany l-N-methyl-carbamate
- Molecular formula
- C16H21N3O3S
- Molecular weight
- 0
Names & synonyms
82560-71-2Carbamic acid, (((2-cyanoethyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID10231868RefChem:331634DTXCID401543592,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(2-cyanoethyl)(methyl)amino]sulfanyl}(methyl)carbamate(2,2-dimethyl-3H-benzofuran-7-yl) N-(2-cyanoethyl-methyl-amino)sulfany l-N-methyl-carbamate
Database identifiers
- CAS
82560-71-2- PubChem CID
- 3067992
- DTXSID
DTXSID10231868
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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