Basic information
- CAS
77248-49-8- Standard SMILES
CCCCSS(=O)CNC(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
WFEVKXBNGLYKTF-UHFFFAOYSA-N- Molecular formula
- C16H23NO4S2
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.10685056
Names & identifiers
- Preferred name
- Carbamic acid, ((butylthio)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butylsulfanylsulfinylmethyl)carbamate
- English name
- Carbamic acid, ((butylthio)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl- 7-benzofur
- Molecular formula
- C16H23NO4S2
- Molecular weight
- 357.49
Names & synonyms
Carbamic acid, ((butylthio)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester77248-49-8((Butylthio)sulfinyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331702DTXSID20998495S-Butyl ({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy](hydroxy)methylidene}amino)methanesulfinothioateCarbamic acid, ((butylthio)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl- 7-benzofurCarbamic acid, [(butylthio)sulfinyl]methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (9CI)
Database identifiers
- CAS
77248-49-8- PubChem CID
- 53633
- DTXSID
DTXSID20998495
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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