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5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione

5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione structure

CAS No:
14731-29-4
Formula:
C8H6ClN3S2
Chemical Name:
5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione
Synonyms:
2-(4-Chlor-phenylamino)-5-mercapto-<1,3,4>thiadiazol; 5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione; 5-(4-chloroanilino)-1,3,4-thiadiazole-2-thiol; 5-(4-chloro-anilino)-3H-[1,3,4]thiadiazole-2-thione; 5-(p-chlorophenylamino)-1,3,4-thiadiazolium-2-thiolate; HMS2785C21; 5-p-chlorophenylamino-2-mercapto-1,3,4-thiadiazole;Expand

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5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione Basic Attributes

Molecular Weight：

243.73600

Exact Mass：

242.9691672

NSC Number：

209947

DSSTox ID：

DTXSID00163664

Characteristics

PSA：

101.04000

XLogP3：

3.67070

Density：

1.61g/cm3

Boiling Point：

347.5ºC at 760mmHg

Flash Point：

163.9ºC

Refractive Index：

1.777

Water Solubility：

17.5 [ug/mL]

Vapor Pressure：

5.37E-05mmHg at 25°C

Computed Properties

Molecular Weight:243.7
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:242.9691672
Monoisotopic Mass:242.9691672
Topological Polar Surface Area:93.8
Heavy Atom Count:14
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-chloroanilino)-3H-1,3,4-thiadiazole-2-thione

Basic Attributes
Characteristics
Computed Properties

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