N-(4,5,6,7-테트라히드로-7-옥소벤조[b]-4-티에닐)아세트아미드

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

HCID 106675CAS 66104-32-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)NC1CCC(=O)c2sccc21
InChIKey: RSZVADWXNPHYKP-UHFFFAOYSA-N
분자식: C10H11NO2S
평균 분자량: 209.27 g/mol
단동위원소 질량: 209.05104959

이름 및 식별자

우선 이름: 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
현지명: N-(4,5,6,7-테트라히드로-7-옥소벤조[b]-4-티에닐)아세트아미드
영어명: N-(4,5,6,7-tetrahydro-7-oxobenzo[b]-4-thienyl)acetamide
분자식: C10H11NO2S
분자량: 209.26

이름 및 동의어

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

이름 더 보기

N-(4,5,6,7-테트라히드로-7-옥소벤조[b]-4-티에닐)아세트아미드N-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 74.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 267

물리화학적 성질

끓는 점: 440.5 · 440.5±44.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
산도 계수 (pKa): 15.14 · 15.14±0.20(Predicted)
EPA: Acetamide, N-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)- (66104-32-3)