methyl 4-(((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate

Modify Date: 2025-09-26 20:20:38

methyl 4-(((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate Structure
methyl 4-(((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate structure
Common Name methyl 4-(((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate
CAS Number 315239-33-9 Molecular Weight 400.514
Density 1.4±0.1 g/cm3 Boiling Point 611.4±65.0 °C at 760 mmHg
Molecular Formula C20H20N2O3S2 Melting Point N/A
MSDS N/A Flash Point 323.6±34.3 °C

 Names

Name Methyl 4-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 611.4±65.0 °C at 760 mmHg
Molecular Formula C20H20N2O3S2
Molecular Weight 400.514
Flash Point 323.6±34.3 °C
Exact Mass 400.091522
LogP 4.63
Vapour Pressure 0.0±1.8 mmHg at 25°C
Index of Refraction 1.700
InChIKey BQFZNPLIXDNGJY-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1

 Synonyms

MFCD02222059
Methyl 4-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-3-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, methyl ester
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