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3,9-Dihydro-2H-purine-2-thione

3,9-Dihydro-2H-purine-2-thione structure

CAS No:
28128-19-0
Formula:
C5H4N4S
Chemical Name:
3,9-Dihydro-2H-purine-2-thione
Synonyms:
2H-Purine-2-thione,3,9-dihydro-;2H-Purine-2-thione,1,3-dihydro-;Purine-2(3H)-thione;3,9-Dihydro-2H-purine-2-thione;Purine-2-thiol;2-Mercaptopurine;Purine-2-thione;2-Thiopurine;NSC 23720;1H-Purine-2-thiol;3,7-Dihydro-2H-purine-2-thione;33426-50-5;37109-85-6

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3,9-Dihydro-2H-purine-2-thione Basic Attributes

Molecular Weight：

152.17700

Exact Mass：

152.18

EC Number：

248-855-0

UNII：

81XK02929C

NSC Number：

23720

HScode：

2933990090

Characteristics

PSA：

93.26000

XLogP3：

0.64160

Density：

1.82g/cm3

Melting Point：

250 °C (decomp)

Boiling Point：

498.6ºC at 760mmHg

Flash Point：

255.4ºC

Refractive Index：

1.941

Vapor Pressure：

0.0119mmHg at 25°C

Safety Information

hazard class code：

R22; R41

safety instructions：

26-39

Marks：

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-mercaptopurine

Computed Properties

Molecular Weight:152.18
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:152.01566732
Monoisotopic Mass:152.01566732
Topological Polar Surface Area:85.2
Heavy Atom Count:10
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2 2 3-dimethylpentane; phenol red; ankle dislocation; dichloromethane msds; ammonium carbonate formula; pentanol

Guide of 3,9-Dihydro-2H-purine-2-thione

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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