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Home > Encyclopedia > Acetonitrile, (1H-1,2,4-triazol-3-ylthio)- (9CI)

Acetonitrile, (1H-1,2,4-triazol-3-ylthio)- (9CI)

Acetonitrile, (1H-1,2,4-triazol-3-ylthio)- (9CI) structure

Acetonitrile, (1H-1,2,4-triazol-3-ylthio)- (9CI) 

structure
  • CAS No:

    61690-98-0

  • Formula:

    C4H4N4S

  • Chemical Name:

    Acetonitrile, (1H-1,2,4-triazol-3-ylthio)- (9CI)

  • Synonyms:

    2-(1H-1,2,4-triazol-5-ylsulfanyl)acetonitrile;CTK8J6622;ZINC5373230;AKOS000217678;AKOS002676323;(4H-1,2,4-Triazol-3-ylsulfanyl)acetonitrile;ACETONITRILE,(1H-1,2,4-TRIAZOL-3-YLTHIO)-

Acetonitrile, (1H-1,2,4-triazol-3-ylthio)- (9CI) Basic Attributes

140.16636

140.016

2933990090

Characteristics

90.7

0.6

1.46±0.1 g/cm3(Predicted)

113-114 °C

Computed Properties

Molecular Weight:140.17
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:140.01566732
Monoisotopic Mass:140.01566732
Topological Polar Surface Area:90.7
Heavy Atom Count:9
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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