基本情報
- CAS
351007-15-3- 標準SMILES
C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(C)(C)OC3- InChIKey
RFQGCYMRTRXTAA-UHFFFAOYSA-N- 分子式
- C19H24N2O2S2
- 平均分子量
- 376.5 g/mol
名称と識別子
- 優先名称
- 6,6-Dimethyl-3-(2-methylprop-2-enyl)-2-(2-methylprop-2-enylsulfanyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
- IUPAC
- 12,12-dimethyl-4-(2-methylprop-2-enyl)-5-(2-methylprop-2-enylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
- 英語名
- 6,6-dimethyl-3-(2-methyl-2-propenyl)-2-[(2-methyl-2-propenyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
- 分子式
- C19H24N2O2S2
- 分子量
- 376.54
名称と別名
351007-15-36,6-dimethyl-3-(2-methylprop-2-enyl)-2-(2-methylprop-2-enylsulfanyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-oneCBMicro_017130ChemDiv1_007577HMS608I09HMS3428F13CCG-13200STL298218AKOS00054960812,12-Dimethyl-4-(2-methylprop-2-enyl)-5-(2-methylprop-2-enylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one6,6-dimethyl-3-(2-methyl-2-propenyl)-2-[(2-methyl-2-propenyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-oneBIM-0017099.P001
名称をさらに表示
4H-Pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,8-tetrahydro-6,6-dimethyl-3-(2-methyl-2-propen-1-yl)-2-[(2-methyl-2-propen-1-yl)thio]-
EU-0008491AB00097670-01AJ-292/37222017SR-01000465244SR-01000465244-16,6-dimethyl-3-(2-methylallyl)-2-((2-methylallyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one6,6-DIMETHYL-3-(2-METHYLALLYL)-2-[(2-METHYLALLYL)SULFANYL]-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
データベース識別子
- CAS
351007-15-3
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 95.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 629
物理化学的性質
- 沸点
- 529.4 · 529.4±60.0 °C(Predicted)
- 比重(密度)
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- -2.63 · -2.63±0.40(Predicted)
化学と産業
サプライヤー2 社
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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