Home Nitriles 1,3,4-Thiadiazole-2-carbonitrile, 5-(methylthio)-

1,3,4-Thiadiazole-2-carbonitrile, 5-(methylthio)-

CAS No.:
70391-06-9
Catalog Number:
AG00FU7X
Molecular Formula:
C4H3N3S2
Molecular Weight:
157.2167
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Product Description
Catalog Number:
AG00FU7X
Chemical Name:
1,3,4-Thiadiazole-2-carbonitrile, 5-(methylthio)-
CAS Number:
70391-06-9
Molecular Formula:
C4H3N3S2
Molecular Weight:
157.2167
MDL Number:
MFCD18805205
IUPAC Name:
5-methylsulfanyl-1,3,4-thiadiazole-2-carbonitrile
InChI:
InChI=1S/C4H3N3S2/c1-8-4-7-6-3(2-5)9-4/h1H3
InChI Key:
WNKOOEPXWOVDIJ-UHFFFAOYSA-N
SMILES:
CSc1nnc(s1)C#N
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.977g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.209g/mol
Monoisotopic Mass:
156.977g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties