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2-(4-butylanilino)-3,7-dihydropurine-6-thione

2-(4-butylanilino)-3,7-dihydropurine-6-thione structure

CAS No:
104715-68-6
Formula:
C15H17N5S
Chemical Name:
2-(4-butylanilino)-3,7-dihydropurine-6-thione

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2-(4-butylanilino)-3,7-dihydropurine-6-thione Basic Attributes

Molecular Weight：

299.39400

Exact Mass：

299.12046674

NSC Number：

685805

DSSTox ID：

DTXSID00146674

Characteristics

PSA：

105.29000

XLogP3：

3.80080

Density：

1.36g/cm3

Boiling Point：

542.4ºC

Flash Point：

281.8ºC

Refractive Index：

1.715

Vapor Pressure：

7.95E-12mmHg at 25°C

Computed Properties

Molecular Weight:299.4
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:299.12046674
Monoisotopic Mass:299.12046674
Topological Polar Surface Area:97.2
Heavy Atom Count:21
Complexity:403
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-butylanilino)-3,7-dihydropurine-6-thione

Basic Attributes
Characteristics
Computed Properties

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