기본 정보
- CAS
743440-25-7- 표준 SMILES
Cc1sc2[nH]c(CSC(C)C(=O)O)nc(=O)c2c1C- InChIKey
XNKLDESMLLWUPM-UHFFFAOYSA-N- 분자식
- C12H14N2O3S2
- 평균 분자량
- 298.4 g/mol
- 단동위원소 질량
- 298.04458466
이름 및 식별자
- 우선 이름
- 2-{[(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]thio}propanoic acid
- IUPAC
- 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid
- 영어명
- 2-[[(5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO]PROPANOIC ACID
- 분자식
- C12H14N2O3S2
- 분자량
- 298.38
이름 및 동의어
743440-25-72-[({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]thio}propanoic acid2-(((5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl)thio)propanoic acid2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid2-[[(5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO]PROPANOIC ACID2-[({5,6-dimethyl-4-oxo-1H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid2-([(5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)PROPANOIC ACIDMFCD05262732AKOS008024150AKOS008965189SY133245
이름 더 보기
CS-0221421EN300-09097G36073F643959Z559431212-(((5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl)thio)propanoicacid2-[[(1,4-Dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)methyl]thio]propanoic acidPropanoic acid, 2-[[(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)methyl]thio]-
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 427
물리화학적 성질
- 끓는 점
- 532 · 532.0±60.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.62 · 3.62±0.10(Predicted)
화학 및 산업
공급사2 곳
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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