7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione

HCID 826703CAS 2894-71-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: S=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1
InChIKey: KFUPVMCNARYHKM-UHFFFAOYSA-N
분자식: C15H10Cl2N2S
평균 분자량: 321.2 g/mol
단동위원소 질량: 319.99417468

개요

structure given in first source

이름 및 식별자

우선 이름: 7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione
IUPAC: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
영어명: 7-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione
분자식: C15H10Cl2N2S
분자량: 321.22

이름 및 동의어

2894-71-57-Ccdbt7-Chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thioneDTXSID90183139RefChem:105906DTXCID501056307-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione2H-1,4-Benzodiazepine-2-thione, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-MLS0005470677-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione; 7-Chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepin-2-thioneSCHEMBL7330628

이름 더 보기

Delorazepam Impurity 17-Chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepin-2-thione7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine 2-thione7-CHLORO-5-(2-CHLOROPHENYL)-2-THIONO-2,3-DIHYDRO-1H-1,4-BENZODIAZEPINE(WXG00673)

CHEMBL1419766SCHEMBL11534409HMS2348D112H-1,4-Benzodiazepine-2-thione,7-chloro-5-(2-chlorophenyl)-1,3-dihydro-AKOS005067486NCGC00247104-01SMR000113872AE-641/00770046

데이터베이스 식별자

CAS: 2894-71-5
PubChem CID: 826703
DTXSID: DTXSID90183139
ChEMBL: CHEMBL1419766
EC Number: 806-237-3

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 56.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 20
형식 전하: 0
복잡도: 413

물리화학적 성질

녹는점: 251 · 251-253 °C
끓는 점: 437.8 · 437.8±55.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
산도 계수 (pKa): 9.58 · 9.58±0.40(Predicted)

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.