기본 정보
- CAS
383370-25-0- 표준 SMILES
CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3- InChIKey
DZAWPGZEEKWUFT-UHFFFAOYSA-N- 분자식
- C20H22N2O2S2
- 평균 분자량
- 386.5 g/mol
이름 및 식별자
- 우선 이름
- 2-(ethylsulfanyl)-6,6-dimethyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
- IUPAC
- 5-ethylsulfanyl-12,12-dimethyl-4-(2-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
- 영어명
- 2-(ethylsulfanyl)-6,6-dimethyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
- 분자식
- C20H22N2O2S2
- 분자량
- 386.53
이름 및 동의어
383370-25-02-(ethylsulfanyl)-6,6-dimethyl-3-(2-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one2-ethylsulfanyl-6,6-dimethyl-3-(2-methylphenyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-oneSTK283350AKOS0054272445-Ethylsulfanyl-12,12-dimethyl-4-(2-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-oneST51027521AJ-292/413423452-(ethylthio)-6,6-dimethyl-3-(o-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one2-ethylthio-6,6-dimethyl-3-(2-methylphenyl)-3,5,6-trihydro-8H-pyrimidino[5',4' -5,4]thiopheno[2,3-c]pyran-4-one4H-Pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(ethylthio)-3,5,6,8-tetrahydro-6,6-dimethyl-3-(2-methylphenyl)-
데이터베이스 식별자
- CAS
383370-25-0
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 594
물리화학적 성질
- 끓는 점
- 569.1 · 569.1±60.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.15 · -0.15±0.40(Predicted)
화학 및 산업
공급사3 곳
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