기본 정보
- CAS
338760-21-7- 표준 SMILES
Cc1nc(-c2ccccc2)sc1-c1nnc(SCc2ccc(Cl)cc2)n1C- InChIKey
HLHYNRISVICYDI-UHFFFAOYSA-N- 분자식
- C20H17ClN4S2
- 평균 분자량
- 413 g/mol
이름 및 식별자
- 우선 이름
- 4-chlorobenzyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide
- IUPAC
- 5-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-1,3-thiazole
- 영어명
- 3-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole
- 분자식
- C20H17ClN4S2
- 분자량
- 412.96
이름 및 동의어
338760-21-74-chlorobenzyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide3-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole5-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-1,3-thiazoleAKOS0050921925G-367S3-[(4-Chlorobenzyl)sulfanyl]-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole4H-1,2,4-Triazole, 3-[[(4-chlorophenyl)methyl]thio]-4-methyl-5-(4-methyl-2-phenyl-5-thiazolyl)-
데이터베이스 식별자
- CAS
338760-21-7
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 97.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 471
물리화학적 성질
- 끓는 점
- 632.2 · 632.2±65.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.75 · 0.75±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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