기본 정보
- CAS
338960-45-5- 표준 SMILES
Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1- InChIKey
HWFDRXOBISZWAO-UHFFFAOYSA-N- 분자식
- C18H14Cl2N2O2S2
- 평균 분자량
- 425.4 g/mol
이름 및 식별자
- 우선 이름
- 4-(4-Chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
- 영어명
- 4-CHLOROPHENYL (6-[(4-CHLOROPHENYL)SULFANYL]-2-METHYL-4-PYRIMIDINYL)METHYL SULFONE
- 분자식
- C18H14Cl2N2O2S2
- 분자량
- 425.35
이름 및 동의어
MLS000326227338960-45-54-(4-chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine4-((4-Chlorophenyl)sulfanyl)-6-(((4-chlorophenyl)sulfonyl)methyl)-2-methylpyrimidine4-[(4-chlorobenzenesulfonyl)methyl]-6-[(4-chlorophenyl)sulfanyl]-2-methylpyrimidineSMR0001703214-chlorophenyl {6-[(4-chlorophenyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl sulfoneCHEMBL1407084BDBM77377cid_1479463REGID_for_CID_1479463HMS2274D12
이름 더 보기
4-CHLOROPHENYL (6-[(4-CHLOROPHENYL)SULFANYL]-2-METHYL-4-PYRIMIDINYL)METHYL SULFONEPyrimidine, 4-[[(4-chlorophenyl)sulfonyl]methyl]-6-[(4-chlorophenyl)thio]-2-methyl-4-[(4-CHLOROPHENYL)SULFANYL]-6-([(4-CHLOROPHENYL)SULFONYL]METHYL)-2-METHYLPYRIMIDINE
AKOS0050955315L-324S4-(4-chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-pyrimidine4-[(4-chlorophenyl)sulfonylmethyl]-6-[(4-chlorophenyl)thio]-2-methyl-pyrimidine4-[(4-chlorophenyl)sulfonylmethyl]-6-[(4-chlorophenyl)thio]-2-methylpyrimidine
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 93.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 542
물리화학적 성질
- 끓는 점
- 636 · 636.0±55.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.02 · -1.02±0.43(Predicted)
화학 및 산업
공급사5 곳
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
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