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2,5-Diamino-3,4-thiophenedicarbonitrile

2,5-Diamino-3,4-thiophenedicarbonitrile structure

CAS No:
17989-89-8
Formula:
C6H4N4S
Chemical Name:
2,5-Diamino-3,4-thiophenedicarbonitrile
Synonyms:
3,4-Thiophenedicarbonitrile,2,5-diamino-;2,5-Diamino-3,4-thiophenedicarbonitrile;2,5-Diamino-3,4-dicyanothiophene;NSC 409127

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2,5-Diamino-3,4-thiophenedicarbonitrile Basic Attributes

Molecular Weight：

164.18800

Exact Mass：

164.19

UNII：

D9WCL6JS3Z

NSC Number：

409127

DSSTox ID：

DTXSID40170877

HScode：

2934999090

Characteristics

PSA：

127.86000

XLogP3：

1.81826

Density：

1.53g/cm3

Melting Point：

242-246 °C @ Solvent: Dimethylformamide

Boiling Point：

558.3ºC at 760mmHg

Flash Point：

291.5ºC

Refractive Index：

1.699

Vapor Pressure：

1.68E-12mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.19
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:164.01566732
Monoisotopic Mass:164.01566732
Topological Polar Surface Area:128
Heavy Atom Count:11
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Diamino-3,4-thiophenedicarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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