 Home > Encyclopedia > 2-[(4-oxo-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile

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

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

CAS No:
727708-15-8
Formula:
C15H17N3OS2
Chemical Name:
2-[(4-oxo-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile
Synonyms:
ZINC3362874;AKOS033681033;MCULE-4517985231;AB00980335-01;Z19410337;2-({3-oxo-4-propyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetonitrile;727708-15-8

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

Molecular Weight：

319.4 g/mol

Exact Mass：

319.08130452 g/mol

Characteristics

PSA：

110 Å²

XLogP3：

3.36248

Melting Point：

189 - 190 °C (Petroleum ether)

Computed Properties

Molecular Weight:319.4
XLogP3:3.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:319.08130452
Monoisotopic Mass:319.08130452
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:498
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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