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5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol

5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol structure

CAS No:
16865-27-3
Formula:
C6H3N3O3S2
Chemical Name:
5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol
Synonyms:
1,3,4-Thiadiazole-2(3H)-thione,5-(5-nitro-2-furanyl)-;1,3,4-Thiadiazole-2-thiol,5-(5-nitro-2-furyl)-;5-(5-Nitro-2-furanyl)-1,3,4-thiadiazole-2(3H)-thione;5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol;2-Mercapto-5-(5-nitro-2-furyl)-1,3,4-thiadiazole

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5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol Basic Attributes

Molecular Weight：

229.23600

Exact Mass：

229.24

DSSTox ID：

DTXSID80371801

HScode：

2934999090

Characteristics

PSA：

151.78000

XLogP3：

2.51820

Density：

1.96g/cm3

Melting Point：

175-177 °C @ Solvent: Ethanol, Water

Boiling Point：

363.9ºC at 760mmHg

Flash Point：

173.9ºC

Refractive Index：

1.879

Vapor Pressure：

1.75E-05mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Computed Properties

Molecular Weight:229.2
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:228.96158331
Monoisotopic Mass:228.96158331
Topological Polar Surface Area:141
Heavy Atom Count:14
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(5-Nitro-2-furyl)-1,3,4-thiadiazole-2-thiol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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