기본 정보
- CAS
332911-18-9- 표준 SMILES
COC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1- InChIKey
NZGJTJOIRYYJIZ-UHFFFAOYSA-N- 분자식
- C18H17N3O2S
- 평균 분자량
- 339.4 g/mol
- 단동위원소 질량
- 339.10414797
이름 및 식별자
- 우선 이름
- methyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetate
- IUPAC
- methyl 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
- 영어명
- methyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetate
- 분자식
- C18H17N3O2S
- 분자량
- 339.41
이름 및 동의어
332911-18-9methyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetateMFCD02374089Methyl 2-((4-phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetateMethyl ([5-(4-methylphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]thio)acetatemethyl {[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetatemethyl 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetateacetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, methyl esterMETHYL [[5-(4-METHYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETATEmethyl 2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetatemethyl 2-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetateALBB-026219
이름 더 보기
Acetic acid, 2-[[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, methyl ester
SBB072914STL182002AKOS000348281(4-Phenyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid methyl esterNCGC00023282-20LS-08902ST083299H35476
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 82.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 409
물리화학적 성질
- 끓는 점
- 524.3 · 524.3±60.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.36 · 0.36±0.10(Predicted)
화학 및 산업
공급사5 곳
Fluorochem Ltd[email protected]
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
MATRIX[email protected]
PRINCETON[email protected]
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