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Structure

3-(4-Ethoxy-phenyl)-2-mercapto-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

CAS
65234-03-9
Catalog Number
ACM65234039
Category
Other Products
Molecular Weight
358.477720 [g/mol]
Molecular Formula
C18H18N2O2S2

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Specification

Synonyms
3-(4-Ethoxy-phenyl)-2-mercapto-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one, 65234-03-9, 3-(4-ethoxyphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, AC1M5XJ6, AC1Q36K1, CTK5C2418, MolPort-000-871-447, BBL027229, STL380556, ZINC06016493, AKOS000294544, AKOS000369703, AG-G-45448, MCULE-4972010991, EN300-03287, T0512-2412, [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one,3-(4-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-2-thioxo-, 3-(4-ethoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
IUPAC Name
3-(4-ethoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Canonical SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4
InChI Key
TVVBAUVSQIVFLE-UHFFFAOYSA-N
Boiling Point
566ºC at 760 mmHg
Flash Point
296.1ºC
Density
1.41g/cm³
Exact Mass
358.08100
H-Bond Acceptor
4
H-Bond Donor
1
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