 Home > Encyclopedia > 2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure

CAS No:
312585-66-3
Formula:
C25H21ClN2O3S2
Chemical Name:
2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Synonyms:
[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one,2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)-;2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;2-[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-[2-(4-Chloro-phenyl)-2-oxo-ethylsulfanyl]-3-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

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2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one Basic Attributes

Molecular Weight：

497.037

Exact Mass：

497.03

Characteristics

PSA：

113

XLogP3：

6.6

Density：

1.43±0.1 g/cm3(Predicted)

Melting Point：

233-234 °C

Safety Information

Precautionary statement(s)：

P264, P273, P280, P305+P351+P338, P337+P313, P501

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:497.0
XLogP3:6.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:496.0682126
Monoisotopic Mass:496.0682126
Topological Polar Surface Area:113
Heavy Atom Count:33
Complexity:765
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

SDS

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