6,6-Dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
기본 정보
- CAS
351441-32-2- 표준 SMILES
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3- InChIKey
QIYSXTQYYRTDJY-UHFFFAOYSA-N- 분자식
- C21H22N2O2S2
- 평균 분자량
- 398.5 g/mol
이름 및 식별자
- 우선 이름
- 6,6-Dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
- IUPAC
- 12,12-dimethyl-5-(2-methylprop-2-enylsulfanyl)-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
- 영어명
- 6,6-dimethyl-2-[(2-methyl-2-propenyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
- 분자식
- C21H22N2O2S2
- 분자량
- 398.54
이름 및 동의어
351441-32-26,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-oneSTK526579AKOS00546007012,12-Dimethyl-5-(2-methylprop-2-enylsulfanyl)-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one6,6-dimethyl-2-[(2-methyl-2-propenyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-oneAJ-292/372220186,6-dimethyl-2-((2-methylallyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one6,6-dimethyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one4H-Pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,8-tetrahydro-6,6-dimethyl-2-[(2-methyl-2-propen-1-yl)thio]-3-phenyl-
데이터베이스 식별자
- CAS
351441-32-2
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 642
물리화학적 성질
- 끓는 점
- 569 · 569.0±60.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.84 · -0.84±0.40(Predicted)
관련 반응
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