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2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile

2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile structure

CAS No:
301859-08-5
Formula:
C18H15N3OS2
Chemical Name:
2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile
Synonyms:
2-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenyl[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]-acetonitrile;Oprea1_088608;Oprea1_721145;CHEMBL428047;SCHEMBL13407754;ZINC2230220;STK830550;AKOS001032281;MCULE-6444941824;SR-01000399678;SR-01000399678-1;[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile;[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile;301859-08-5

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2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile Basic Attributes

Molecular Weight：

353.5 g/mol

Exact Mass：

353.06565446 g/mol

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:353.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:353.06565446
Monoisotopic Mass:353.06565446
Topological Polar Surface Area:110
Heavy Atom Count:24
Complexity:578
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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