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5-amino-2H-triazole-4-carbothioamide

5-amino-2H-triazole-4-carbothioamide structure

CAS No:
20271-23-2
Formula:
C3H5N5S
Chemical Name:
5-amino-2H-triazole-4-carbothioamide
Synonyms:
5-amino-1H-[1,2,3]triazole-4-carbothioic acid amide; 5-Amino-1H-[1,2,3]triazol-4-thiocarbonsaeure-amid;

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5-amino-2H-triazole-4-carbothioamide Basic Attributes

Molecular Weight：

143.17000

Exact Mass：

143.02656635

NSC Number：

111586

DSSTox ID：

DTXSID60423251

Characteristics

PSA：

125.70000

XLogP3：

0.30260

Density：

1.723g/cm3

Boiling Point：

487.1ºC at 760 mmHg

Flash Point：

248.4ºC

Refractive Index：

1.856

Vapor Pressure：

1.23E-09mmHg at 25°C

Computed Properties

Molecular Weight:143.17
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:143.02656635
Monoisotopic Mass:143.02656635
Topological Polar Surface Area:126
Heavy Atom Count:9
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-amino-2H-triazole-4-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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