3-((4-(Tert-butyl)benzyl)sulfanyl)-5-(((4-chlorobenzyl)sulfanyl)methyl)-4-ethyl-4H-1,2,4-triazole
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기본 정보
- CAS
344268-84-4- 표준 SMILES
CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1ccc(C(C)(C)C)cc1- InChIKey
KPHARJQLNLZINS-UHFFFAOYSA-N- 분자식
- C23H28ClN3S2
- 평균 분자량
- 446.1 g/mol
- 단동위원소 질량
- 445.1413179
이름 및 식별자
- 우선 이름
- 3-((4-(Tert-butyl)benzyl)sulfanyl)-5-(((4-chlorobenzyl)sulfanyl)methyl)-4-ethyl-4H-1,2,4-triazole
- IUPAC
- 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazole
- 영어명
- 3-([4-(TERT-BUTYL)BENZYL]SULFANYL)-5-([(4-CHLOROBENZYL)SULFANYL]METHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE
- 분자식
- C23H28ClN3S2
- 분자량
- 446.07
이름 및 동의어
344268-84-43-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-4H-1,2,4-triazole3-((4-(Tert-butyl)benzyl)sulfanyl)-5-(((4-chlorobenzyl)sulfanyl)methyl)-4-ethyl-4H-1,2,4-triazole3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazoleAKOS0050976847H-424S4-(TERT-BUTYL)BENZYL 5-([(4-CHLOROBENZYL)SULFANYL]METHYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL SULFIDE3-([4-(TERT-BUTYL)BENZYL]SULFANYL)-5-([(4-CHLOROBENZYL)SULFANYL]METHYL)-4-ETHYL-4H-1,2,4-TRIAZOLE4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-4-ethyl-
데이터베이스 식별자
- CAS
344268-84-4- PubChem CID
- 3807268
물성
구조 계산 물성보충 중
- XLogP
- 6.3
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 471
관련 반응
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