Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

HCID 39699

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Basic information

CAS: 50539-75-8
Standard SMILES: Cc1cc(Br)ccc1SCNC(=O)Oc1cccc2c1OC(C)(C)C2
InChIKey: GYCLESUXOHBCRE-UHFFFAOYSA-N
Molecular formula: C19H20BrNO3S
Average molar mass: 422.3 g/mol
Monoisotopic mass: 421.03473

Names & identifiers

Preferred name: Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromo-2-methylphenyl)sulfanylmethyl]carbamate

Names & synonyms

50539-75-8Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID80198555RefChem:331687DTXCID401210462,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-bromo-2-methylphenyl)sulfanyl]methyl}carbamate

Database identifiers

CAS: 50539-75-8
PubChem CID: 39699
DTXSID: DTXSID80198555

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 476

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