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9-BENZYL-(9H)-PURINE-6(1H)-THIONE

9-BENZYL-(9H)-PURINE-6(1H)-THIONE structure

CAS No:
17447-84-6
Formula:
C12H10N4S
Chemical Name:
9-BENZYL-(9H)-PURINE-6(1H)-THIONE
Synonyms:
4-chloro-N-(4-chlorophenyl)-6-methylpyrimidin-2-amine;SCHEMBL3718787;CTK4F1580;DTXSID50402176;ZINC393545;AKOS002659470;9-BENZYL-(9H)-PURINE-6(1H)-THIONE;4-chloro-2-(4-chloroanilino)-6-methylpyrimidine;2-Pyrimidinamine,4-chloro-N-(4-chlorophenyl)-6-methyl-

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9-BENZYL-(9H)-PURINE-6(1H)-THIONE Basic Attributes

Molecular Weight：

242.3

Exact Mass：

242.06300

NSC Number：

25726

DSSTox ID：

DTXSID30397319

HScode：

2933990090

Characteristics

PSA：

74.3

XLogP3：

2.53720

Density：

1.39 g/cm3

Boiling Point：

490.8ºC at 760 mmHg

Flash Point：

250.6ºC

Refractive Index：

1.747

Vapor Pressure：

8.86E-10mmHg at 25°C

Computed Properties

Molecular Weight:242.30
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:242.06261751
Monoisotopic Mass:242.06261751
Topological Polar Surface Area:74.3
Heavy Atom Count:17
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 9-BENZYL-(9H)-PURINE-6(1H)-THIONE

Basic Attributes
Characteristics
Computed Properties

9-BENZYL-(9H)-PURINE-6(1H)-THIONE

SDS

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