기본 정보
- CAS
344269-52-9- 표준 SMILES
O=[N+]([O-])c1ccc(CSc2nnc(CSCc3ccc(Cl)cc3)n2-c2ccccc2)cc1- InChIKey
CJOIWZJPIVKGIN-UHFFFAOYSA-N- 분자식
- C23H19ClN4O2S2
- 평균 분자량
- 483 g/mol
이름 및 식별자
- 우선 이름
- 3-[(4-Chlorophenyl)methylsulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
- 영어명
- 3-([(4-Chlorobenzyl)sulfanyl]methyl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
- 분자식
- C23H19ClN4O2S2
- 분자량
- 483.01
이름 및 동의어
344269-52-93-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole4-chlorobenzyl {5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl sulfide3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazoleAKOS0050978387H-435S4-CHLOROBENZYL (5-[(4-NITROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(4-Chlorobenzyl)sulfanyl]methyl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-5-[[(4-nitrophenyl)methyl]thio]-4-phenyl-
데이터베이스 식별자
- CAS
344269-52-9
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 577
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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