기본 정보
- CAS
674362-42-6- 표준 SMILES
Cc1cc(C)nc(NC2=NCCN2C(=S)Nc2ccc(C)c(C)c2)n1- InChIKey
CIESSXOCCMAQRH-UHFFFAOYSA-N- 분자식
- C18H22N6S
- 평균 분자량
- 354.5 g/mol
- 단동위원소 질량
- 354.1626659
이름 및 식별자
- 우선 이름
- N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carbothioamide
- IUPAC
- N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carbothioamide
이름 및 동의어
674362-42-6N-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazole-1-carbothioamideN-(3,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carbothioamideN-(3,4-dimethylphenyl)-2-((4,6-dimethylpyrimidin-2-yl)amino)-4,5-dihydro-1H-imidazole-1-carbothioamideN-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carbothioamideMLS000332863CHEMBL1470964DTXSID201333569HMS2807D18STK132579STL149169AKOS002227875
이름 더 보기
AKOS005748945SMR000436246ST50106713[(3,4-dimethylphenyl)amino]{2-[(4,6-dimethylpyrimidin-2-yl)amino](2-imidazolin yl)}methane-1-thione2-(4,6-Dimethyl-pyrimidin-2-ylamino)-4,5-dihydro-imidazole-1-carbothioic acid (3,4-dimethyl-phenyl)-amideN-(3,4-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-ylamino)-4,5-dihydro-1h-imidazole-1-carbothioamideN-(3,4-dimethylphenyl)-2-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}-4,5-dihydro-1H-imidazole-1-carbothioamide
데이터베이스 식별자
- CAS
674362-42-6- PubChem CID
- 1396213
- DTXSID
DTXSID201333569- ChEMBL
CHEMBL1470964
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 97.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 500
실험 및 물리화학적 성질
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
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