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4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE

4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE structure

CAS No:
290313-19-8
Formula:
C11H13N3OS
Chemical Name:
4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
Synonyms:
6-cyclohexyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile;5-CYANO-6-CYCLOHEXYL-2-THIOURACIL;4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE;6-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;5-Pyrimidinecarbonitrile, 6-cyclohexyl-1,2,3,4-tetrahydro-4-oxo-2-thioxo-

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4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Basic Attributes

Molecular Weight：

235.31

Exact Mass：

235.07793322

DSSTox ID：

DTXSID70370984

HScode：

2933599090

Characteristics

PSA：

104.53000

XLogP3：

2.35188

Density：

1.32±0.1 g/cm3

Melting Point：

>300

Refractive Index：

1.622

PKA：

6.01±0.25

Safety Information

hazard class code：

R20/21/22

safety instructions：

S36/37

Marks：

Computed Properties

Molecular Weight:235.31
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:235.07793322
Monoisotopic Mass:235.07793322
Topological Polar Surface Area:97
Heavy Atom Count:16
Complexity:412
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-CYCLOHEXYL-2-MERCAPTO-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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