N-[(4,5,6,7-テトラヒドロ-7-オキソベンゾ[b]チオフェン)-4-イル]アセトアミド

Acetamide, N-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)-

HCID 106675

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 66104-32-3
標準SMILES: CC(=O)NC1CCC(=O)c2sccc21
InChIKey: RSZVADWXNPHYKP-UHFFFAOYSA-N
分子式: C10H11NO2S
平均分子量: 209.27 g/mol
単同位体質量: 209.05104959

名称と識別子

優先名称: Acetamide, N-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)-
IUPAC: N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)acetamide
現地名: N-[(4,5,6,7-テトラヒドロ-7-オキソベンゾ[b]チオフェン)-4-イル]アセトアミド
英語名: N-(4,5,6,7-tetrahydro-7-oxobenzo[b]-4-thienyl)acetamide
分子式: C10H11NO2S
分子量: 209.26

名称と別名

66104-32-3EINECS 266-142-2Acetamide, N-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)-N-(4,5,6,7-Tetrahydro-7-oxobenzo(b)thien-4-yl)acetamideDTXSID70886797N-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)acetamideAcetamide, N-(4,5,6,7-tetrahydro-7-oxobenzo(b)thien-4-yl)-Acetamide, N-(4,5,6,7-tetrahydro-7-oxobenzo(b)thien-4-yl-RefChem:551709DTXCID401026116n-(7-oxo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamideEK6SPL7ZYA

名称をさらに表示

N-[(4,5,6,7-テトラヒドロ-7-オキソベンゾ[b]チオフェン)-4-イル]アセトアミドN-(4,5,6,7-tetrahydro-7-oxobenzo[b]-4-thienyl)acetamideN-[(4,5,6,7-Tetrahydro-7-oxobenzo[b]thiophen)-4-yl]acetamide

SCHEMBL11261499NS00125127N-(4,5,6,7-Tetrahydro-7-oxobenzo(b)-4-thienyl)acetamideN-(4,5,6,7-tetrahydro-7-oxo-benz[b]-thien-4-yl) acetamideN-(4,5,6,7-tetrahydro-7-oxo-benz[b]-thien-4-yl)acetamideN-(4,5,6,7-tetrahydro-7-oxobenzo[b]-thien-4-yl)acetamideN-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl) acetamideN-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)-acetamide

データベース識別子

CAS: 66104-32-3
PubChem CID: 106675
DTXSID: DTXSID70886797
UNII: EK6SPL7ZYA
EC Number: 266-142-2
Nikkaji: J349.338E

物性

構造計算による物性

XLogP: 0.9
極性表面積: 74.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 267

物理化学的性質

沸点: 440.5 · 440.5±44.0 °C(Predicted)
比重(密度): 1.29 · 1.29±0.1 g/cm3(Predicted)
酸解離定数(Pka): 15.14 · 15.14±0.20(Predicted)
EPAの化学物質情報: Acetamide, N-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)- (66104-32-3)