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Structure

2-Mercapto-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

CAS
42076-13-1
Catalog Number
ACM42076131
Category
Other Products
Molecular Weight
314.43
Molecular Formula
C16H14N2OS2

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Specification

Synonyms
3-PHENYL-2-SULFANYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE;2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE;[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 5,6,7,8-TETRAHYDRO-2-MERCAPTO-3-PHENYL-
IUPAC Name
3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Canonical SMILES
C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4
InChI Key
VVTUPMPBYOGHJF-UHFFFAOYSA-N
Boiling Point
522.9ºC at 760 mmHg
Flash Point
270ºC
Density
1.45g/cm³
Exact Mass
314.05500
H-Bond Acceptor
1
H-Bond Donor
1
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