기본 정보
- CAS
76360-81-1- 표준 SMILES
CCOC(=O)c1c(O)c2cnc(SC)nc2n(C)c1=O- InChIKey
DYADCDHHJJBFRO-UHFFFAOYSA-N- 분자식
- C12H13N3O4S
- 평균 분자량
- 295.32 g/mol
- 단동위원소 질량
- 295.0626769
이름 및 식별자
- 우선 이름
- Ethyl 5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-hydroxy-8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate
- 영어명
- ethyl 5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- 분자식
- C12H13N3O4S
- 분자량
- 295.31
이름 및 동의어
76360-81-1Ethyl 5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylateethyl 5-hydroxy-8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carboxylateSCHEMBL11168368DTXSID60716352DYADCDHHJJBFRO-UHFFFAOYSA-NAKOS015856175ethyl5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylateDB-0751147,8-dihydro-5-hydroxy-8-methyl-2-(methylthio)-7-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid ethyl ester7,8-dihydro-5-hydroxy-8-methyl-2-(methylthio)-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl esterEthyl 5-hydroxy-8-methyl-2-(methylsulfanyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
이름 더 보기
ethyl 5-hydroxy-8-Methyl-2-(Methylthio)-7-oxo-7,8-dihydropyrido[Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 7,8-dihydro-5-hydroxy-8-methyl-2-(methylthio)-7-oxo-, ethyl ester
데이터베이스 식별자
- CAS
76360-81-1- PubChem CID
- 54729611
- DTXSID
DTXSID60716352
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 454
물리화학적 성질
- 끓는 점
- 467 · 467.0±45.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
안전 및 규제
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사3 곳
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