기본 정보
- CAS
477313-77-2- 표준 SMILES
COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)s2)cc1- InChIKey
XGDWLQNQOFUUEZ-UHFFFAOYSA-N- 분자식
- C19H18ClN3O2S3
- 평균 분자량
- 452 g/mol
- 단동위원소 질량
- 451.024968
이름 및 식별자
- 우선 이름
- N-(4-Chloro-2-methylphenyl)-2-((5-((4-methoxybenzyl)sulfanyl)-1,3,4-thiadiazol-2-YL)sulfanyl)acetamide
- IUPAC
- N-(4-chloro-2-methylphenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
이름 및 동의어
477313-77-2N-(4-chloro-2-methylphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamideN-(4-Chloro-2-methylphenyl)-2-((5-((4-methoxybenzyl)sulfanyl)-1,3,4-thiadiazol-2-YL)sulfanyl)acetamideRefChem:827370648-008-9N-(4-Chloro-2-methylphenyl)-2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetamideZINC1474817MFCD03474193STK079038ZINC01474817AKOS002174030ZINC000001474817
이름 더 보기
ST50060553COc1ccc(cc1)CSc1nnc(s1)SCC(=O)Nc1ccc(cc1C)ClCC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)OCN(4CHLORO2METHYLPHENYL)2((5((4METHOXYBENZYL)THIO)134THIADIAZOL2YL)THIO)ACETAMIDEN(4CHLORO2METHYLPHENYL)2((5(((4METHOXYPHENYL)METHYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)ACETAMIDEN(4CHLORO2METHYLPHENYL)2((5((4METHOXYBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)ACETAMIDEN(4CHLORO2METHYLPHENYL)2((5((4METHOXYPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETAMIDEN(4CHLORO2METHYLPHENYL)2(5((4METHOXYPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))ACETAMIDE
데이터베이스 식별자
- CAS
477313-77-2- PubChem CID
- 1543101
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 497
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
관련 반응
0건
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