기본 정보
- CAS
1404306-95-1- 표준 SMILES
C/C(Cl)=C/Cn1c(SCCCCCl)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
NITDKHANLGZLFL-UITAMQMPSA-N- 분자식
- C14H18Cl2N4O2S
- 평균 분자량
- 377.3 g/mol
- 단동위원소 질량
- 376.0527524
이름 및 식별자
- 우선 이름
- 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione
- IUPAC
- 7-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dione
- 영어명
- 7-(3-chloro-2-butenyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- 분자식
- C14H18Cl2N4O2S
- 분자량
- 377.29
이름 및 동의어
1404306-95-17-[(Z)-3-chlorobut-2-enyl]-8-(4-chlorobutylsulfanyl)-3-methylpurine-2,6-dioneZINC135772127-(3-chloro-2-butenyl)-8-[(4-chlorobutyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dioneMFCD01032053STK023340AKOS000578651ZINC000013577212ST50296514AG-690/11451074ClCCCCSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2CCC(=CCN1C2=C(N=C1SCCCCCl)N(C(=O)NC2=O)C)Cl
이름 더 보기
1H-Purine-2,6-dione, 7-[(2Z)-3-chloro-2-buten-1-yl]-8-[(4-chlorobutyl)thio]-3,7-dihydro-3-methyl-
(Z)7(3chlorobut2en1yl)8((4chlorobutyl)thio)3methyl1Hpurine26(3H7H)dione7((Z)3CHLOROBUT2ENYL)8(4CHLOROBUTYLSULFANYL)3METHYLPURINE26DIONE7((2Z)3CHLOROBUT2EN1YL)8((4CHLOROBUTYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE7((2Z)3CHLOROBUT2ENYL)8(4CHLOROBUTYLTHIO)3METHYL137TRIHYDROPURINE26DIONE7(3CHLORO2BUTENYL)8((4CHLOROBUTYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE7-(3-CL-BUT-2-ENYL)-8-(4-CL-BUTYLSULFANYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE(Z)-7-(3-chlorobut-2-en-1-yl)-8-((4-chlorobutyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione7-((2Z)-3-chlorobut-2-enyl)-8-(4-chlorobutylthio)-3-methyl-1,3,7-trihydropurin e-2,6-dione
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 92.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 491
물리화학적 성질
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.27 · 9.27±0.70(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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