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2-[(3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one

2-[(3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one structure

CAS No:
15870-55-0
Formula:
C12H9N5O3S
Chemical Name:
2-[(3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one

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2-[(3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one Basic Attributes

Molecular Weight：

303.29700

Exact Mass：

303.04261034

NSC Number：

211342|118208

DSSTox ID：

DTXSID00390574

Characteristics

PSA：

145.55000

XLogP3：

2.36990

Density：

1.72g/cm3

Boiling Point：

506.4ºC

Flash Point：

260ºC

Refractive Index：

1.82

Vapor Pressure：

2.25E-17mmHg at 25°C

Computed Properties

Molecular Weight:303.30
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:303.04261034
Monoisotopic Mass:303.04261034
Topological Polar Surface Area:141
Heavy Atom Count:21
Complexity:466
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one

Basic Attributes
Characteristics
Computed Properties

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