2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate

HCID 41383CAS 55285-05-7

基本情報

標準SMILES: CN(SN1CCOCC1)C(=O)Oc1cccc2c1OC(C)(C)C2
InChIKey: KISOXJQGSGASFJ-UHFFFAOYSA-N
分子式: C16H22N2O4S
平均分子量: 338.4 g/mol
単同位体質量: 338.13002818

名称と識別子

優先名称: 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamate
IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate

名称と別名

N-(Morpholinosulfenyl)carbofuranFMC 31768BRN 1224775AI3-292582,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl(4-morpholinylthio)carbamateDTXSID80735562,3-Dihydro-2,2-dimethyl-7-benzofuranyl(methyl)(morpholinosulfenyl)carbamateCarbamic acid, N-methyl-N-(morpholinothio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterN-Methyl-N-(morpholinothio)carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterCarbamic acid methyl(4-morpholinylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterCarbamic acid, methyl(4-morpholinylthio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:244776

名称をさらに表示

DTXCID904186155285-05-7SCHEMBL11265965KISOXJQGSGASFJ-UHFFFAOYSA-N2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(morpholin-4-yl)sulfanyl]carbamate2,3-dihydro-2,2-dimethyl-7-benzofuranyl (methyl)(morpholinosulfenyl)carbamate2,3-dihydro-2,2-dimethyl-7-benzofuranyl (morpholinosulfenyl)(methyl)carbamate

データベース識別子

CAS: 55285-05-7
PubChem CID: 41383
DTXSID: DTXSID8073556
Nikkaji: J69.345F

物性

構造計算による物性

XLogP: 2.9
極性表面積: 76.5 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 428