2,2-DIOXO-1,3-DIHYDROBENZO[C]티오펜-5일아민

5-Amino-1,3-dihydro-2lambda6-benzothiophene-2,2-dione

HCID 2821917

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 70654-85-2
표준 SMILES: Nc1ccc2c(c1)CS(=O)(=O)C2
InChIKey: HFUIQDXPKOCDLV-UHFFFAOYSA-N
분자식: C8H9NO2S
평균 분자량: 183.23 g/mol
단동위원소 질량: 183.03539953

이름 및 식별자

우선 이름: 5-Amino-1,3-dihydro-2lambda6-benzothiophene-2,2-dione
IUPAC: 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine
현지명: 2,2-DIOXO-1,3-DIHYDROBENZO[C]티오펜-5일아민
영어명: 2,2-Dioxo-1,3-dihydrobenzo[c]thiophene-5yl amine
분자식: C8H9NO2S
분자량: 183.23

이름 및 동의어

5-amino-1,3-dihydro-2lambda6-benzothiophene-2,2-dioneRefChem:531950690-650-770654-85-25-amino-1,3-dihydrobenzo[c]thiophene 2,2-dioxide2,2-dioxo-1,3-dihydrobenzo[c]thiophene-5yl amine2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amineMFCD001782612,2-DIOXO-1,3-DIHYDROBENZO[C]THIOPHENE-5-YLAMINE2,2-Dioxo-1,3-dihydrobenzo[c]thiophen-5-amine5-Amino-1,3-dihydrobenzo[c]thiophene2,2-dioxideSCHEMBL265690

이름 더 보기

2,2-DIOXO-1,3-DIHYDROBENZO[C]티오펜-5일아민2,2-Dioxo-1,3-dihydrobenzo[c]thiophen-5-ylamine5-Amino-1,3-dihydro-2λ6-benzothiophene-2,2-dione5-Amino-2,3-dihydro-1H-benzo[c]thiophene-2,2-dione2,2-Dioxo-1,3-dihydrobenzo[c]thiophene-5yl amine, Tech.

SCHEMBL9924125-amino-1,3-dihydro-2|E6-benzothiophene-2,2-dioneBenzo[c]thiophen-5-amine, 1,3-dihydro-, 2,2-dioxideSCHEMBL29657685DTXSID70384905HFUIQDXPKOCDLV-UHFFFAOYSA-NSBB090063AKOS006282753

데이터베이스 식별자

CAS: 70654-85-2
PubChem CID: 2821917
DTXSID: DTXSID70384905
EC Number: 690-650-7

물성

구조 계산 물성

XLogP: 0
극성 표면적: 68.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 186 °C · 186 °C
끓는 점: 483.4 · 483.4±45.0 °C(Predicted)
밀도: 1.438 · 1.438±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 3.48 · 3.48±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.