기본 정보
- CAS
433952-67-1- 표준 SMILES
Cc1cc(C)nc(SCC(CSc2nc(C)cc(C)n2)C(=O)O)n1- InChIKey
LIKBFVZMUIFWNY-UHFFFAOYSA-N- 분자식
- C16H20N4O2S2
- 평균 분자량
- 364.5 g/mol
- 단동위원소 질량
- 364.10276824
이름 및 식별자
- 우선 이름
- 3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}propanoic acid
- IUPAC
- 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoic acid
- 영어명
- 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]-2-([(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL)PROPANOIC ACID
- 분자식
- C16H20N4O2S2
- 분자량
- 364.49
이름 및 동의어
433952-67-13-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}propanoic acid3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}propanoic acid3-((4,6-dimethylpyrimidin-2-yl)thio)-2-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)propanoic acidF1052-0136IFLab1_0047093-(4,6-dimethylpyrimidin-2-ylthio)-2-[(4,6-dimethylpyrimidin-2-ylthio)methyl]p ropanoic acid3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]-2-([(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL)PROPANOIC ACIDCambridge id 6977867Oprea1_760940Oprea1_8320813-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoic acid
이름 더 보기
AKOS BBS-000004253-[(4,6-DIMETHYLPYRIMIDIN-2-YL)THIO]-2-([(4,6-DIMETHYLPYRIMIDIN-2-YL)THIO]METHYL)PROPANOIC ACIDPropanoic acid, 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-
MLS000690669CHEMBL1879897HMS1425G01HMS2641C13SMSSF-0063290ISA95267SBB038315STK545731
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 366
물리화학적 성질
- 끓는 점
- 574.7 · 574.7±50.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.79 · 3.79±0.11(Predicted)
화학 및 산업
공급사1 곳
常州合晶化工有限公司85528066 13775048983 · [email protected]
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