CAS 61394-58-9 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile (HCID 12351490)

기본 정보

CAS: 61394-58-9
표준 SMILES: CSC1C(=O)Nc2ccc(C#N)cc21
InChIKey: FJUDHSLBVBUTSZ-UHFFFAOYSA-N
분자식: C10H8N2OS
평균 분자량: 204.25 g/mol
단동위원소 질량: 204.03573388

이름 및 식별자

우선 이름: 3-(Methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile
IUPAC: 3-methylsulfanyl-2-oxo-1,3-dihydroindole-5-carbonitrile

이름 및 동의어

3-(methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile61394-58-9DTXSID40493356RefChem:275697DTXCID404441663-methylsulfanyl-2-oxo-1,3-dihydroindole-5-carbonitrile1H-Indole-5-carbonitrile, 2,3-dihydro-3-(methylthio)-2-oxo-SCHEMBL260499FJUDHSLBVBUTSZ-UHFFFAOYSA-N5-cyano-3-methylthioindolin-2-oneLCA39458AKOS000279460

이름 더 보기

AKOS022647982MB08535CS-0253303EN300-638933-methylsulfanyl-2-oxo-indoline-5-carbonitrileG261833-(methylsulfanyl)-2-oxo-5-indolinecarbonitrileAU-059/43521917

데이터베이스 식별자

CAS: 61394-58-9
PubChem CID: 12351490
DTXSID: DTXSID40493356
EC Number: 156-399-8

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 78.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 296

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.