4-Chlorophenyl {2-methyl-6-[(4-methylphenyl)sulfanyl]-4-pyrimidinyl}methyl sulfide
기본 정보
- CAS
339278-65-8- 표준 SMILES
Cc1ccc(Sc2cc(CSc3ccc(Cl)cc3)nc(C)n2)cc1- InChIKey
MNJSIIFXYOFQDR-UHFFFAOYSA-N- 분자식
- C19H17ClN2S2
- 평균 분자량
- 372.9 g/mol
이름 및 식별자
- 우선 이름
- 4-Chlorophenyl {2-methyl-6-[(4-methylphenyl)sulfanyl]-4-pyrimidinyl}methyl sulfide
- IUPAC
- 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-6-(4-methylphenyl)sulfanylpyrimidine
- 영어명
- 4-([(4-Chlorophenyl)sulfanyl]methyl)-2-methyl-6-[(4-methylphenyl)sulfanyl]pyrimidine
- 분자식
- C19H17ClN2S2
- 분자량
- 372.93
이름 및 동의어
339278-65-84-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-6-[(4-methylphenyl)sulfanyl]pyrimidine4-chlorophenyl {2-methyl-6-[(4-methylphenyl)sulfanyl]-4-pyrimidinyl}methyl sulfide4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-6-(4-methylphenyl)sulfanylpyrimidineAKOS0050905984L-352SPyrimidine, 4-[[(4-chlorophenyl)thio]methyl]-2-methyl-6-[(4-methylphenyl)thio]-4-CHLOROPHENYL (2-METHYL-6-[(4-METHYLPHENYL)SULFANYL]-4-PYRIMIDINYL)METHYL SULFIDE4-([(4-Chlorophenyl)sulfanyl]methyl)-2-methyl-6-[(4-methylphenyl)sulfanyl]pyrimidine
데이터베이스 식별자
- CAS
339278-65-8
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 76.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 368
물리화학적 성질
- 끓는 점
- 535.5 · 535.5±50.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.59 · 0.59±0.43(Predicted)
관련 반응
0건
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