기본 정보
- CAS
748793-35-3- 표준 SMILES
CC(C)(C)c1ccc(-c2n[nH]c(=S)n2-c2ccccc2Cl)cc1- InChIKey
WNEDDPDCTLGSCT-UHFFFAOYSA-N- 분자식
- C18H18ClN3S
- 평균 분자량
- 343.9 g/mol
- 단동위원소 질량
- 343.0909965
이름 및 식별자
- 우선 이름
- 5-(4-tert-Butyl-phenyl)-4-(2-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol
- IUPAC
- 3-(4-tert-butylphenyl)-4-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
- 영어명
- 5-(4-TERT-BUTYL-PHENYL)-4-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
- 분자식
- C18H18ClN3S
- 분자량
- 343.87
이름 및 동의어
748793-35-35-(4-tert-Butyl-phenyl)-4-(2-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol5-(4-(tert-Butyl)phenyl)-4-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol5-(4-tert-butylphenyl)-4-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol3-(4-tert-butylphenyl)-4-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione5-[4-(tert-Butyl)phenyl]-4-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiolMFCD03655042SBB038511AKOS000116196SY138071CS-0219247EN300-03511
이름 더 보기
AKOS BBS-000006614-(2-Chlorophenyl)-5-[4-(tert-butyl)phenyl]-2,4-dihydro-3H-[1,2,4]-triazol-3-thione4-(2-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 4-(2-chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-
G36157F642210Z568538205-[4-(tert-butyl)phenyl]-4-(2-chlorophenyl)-1,2,4-triazole-3-thiol3-(4-tert-butylphenyl)-4-(2-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 59.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 477
화학 및 산업
공급사3 곳
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
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