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4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile

4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile structure

CAS No:
561027-95-0
Formula:
C21H19N3OS2
Chemical Name:
4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile
Synonyms:
ZINC2195052;STL340441;AKOS002190643;MCULE-1904712264;ST50082018;4-({[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile;4-[(4-oxo-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin- 2-ylthio)methyl]benzenecarbonitrile;561027-95-0

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4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Basic Attributes

Molecular Weight：

393.5 g/mol

Exact Mass：

393.09695459 g/mol

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:393.5
XLogP3:4.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:393.09695459
Monoisotopic Mass:393.09695459
Topological Polar Surface Area:110
Heavy Atom Count:27
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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