Carbamic acid, methyl(phenylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

HCID 39690CAS 50539-66-7
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Basic information

Standard SMILES
CN(Sc1ccccc1)C(=O)Oc1cccc2c1OC(C)(C)C2
InChIKey
AGAFDJJQJCSMQQ-UHFFFAOYSA-N
Molecular formula
C18H19NO3S
Average molar mass
329.4 g/mol
Monoisotopic mass
329.10856447

Names & identifiers

Preferred name
Carbamic acid, methyl(phenylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
IUPAC
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-phenylsulfanylcarbamate

Names & synonyms

N-BenzenesulfenylcarbofuranN-Phenylsulfenyl carbofuranBRN 1394761Carbamic acid, methyl(phenylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-66-7DTXSID901985462,2-Dimethyl-2,3-dihydrobenzofuran-7-yl N-methyl-N-phenylthiocarbamateRefChem:332519DTXCID50121037AGAFDJJQJCSMQQ-UHFFFAOYSA-N2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl(phenylsulfanyl)carbamate2,3-dihydro-2,2-dimethyl-7-benzofuranyl (methyl)(phenylthio)carbamate

Database identifiers

CAS
50539-66-7
PubChem CID
39690
DTXSID
DTXSID90198546
Nikkaji
J69.362F

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
64.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Linked notes

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