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2,3-Dihydro-6-pentyl-2-thioxo-4(1H)-pyrimidinone

2,3-Dihydro-6-pentyl-2-thioxo-4(1H)-pyrimidinone structure

CAS No:
53939-85-8
Formula:
C9H14N2OS
Chemical Name:
2,3-Dihydro-6-pentyl-2-thioxo-4(1H)-pyrimidinone
Synonyms:
4(1H)-Pyrimidinone,2,3-dihydro-6-pentyl-2-thioxo-;Uracil,6-amyl-2-thio-;2,3-Dihydro-6-pentyl-2-thioxo-4(1H)-pyrimidinone;6-Amyl-2-thiouracil;NSC 102025;ZINC 16857690

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2,3-Dihydro-6-pentyl-2-thioxo-4(1H)-pyrimidinone Basic Attributes

Molecular Weight：

198.28500

Exact Mass：

198.29

NSC Number：

102025

DSSTox ID：

DTXSID20390975

Characteristics

PSA：

80.74000

XLogP3：

2.16520

Density：

1.16g/cm3

Melting Point：

151-153 °C

Boiling Point：

372.8ºC at 760 mmHg

Flash Point：

179.3ºC

Refractive Index：

1.571

Computed Properties

Molecular Weight:198.29
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:198.08268425
Monoisotopic Mass:198.08268425
Topological Polar Surface Area:73.2
Heavy Atom Count:13
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-Dihydro-6-pentyl-2-thioxo-4(1H)-pyrimidinone

Basic Attributes
Characteristics
Computed Properties

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