Home Nitriles 1,2,3-Thiadiazole-5-carbonitrile, 4-methyl-

1,2,3-Thiadiazole-5-carbonitrile, 4-methyl-

CAS No.:
175136-68-2
Catalog Number:
AG00209J
Molecular Formula:
C4H3N3S
Molecular Weight:
125.1517
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Product Description
Catalog Number:
AG00209J
Chemical Name:
1,2,3-Thiadiazole-5-carbonitrile, 4-methyl-
CAS Number:
175136-68-2
Molecular Formula:
C4H3N3S
Molecular Weight:
125.1517
MDL Number:
MFCD00052220
IUPAC Name:
4-methylthiadiazole-5-carbonitrile
InChI:
InChI=1S/C4H3N3S/c1-3-4(2-5)8-7-6-3/h1H3
InChI Key:
SSRVAYBDOKEBHG-UHFFFAOYSA-N
SMILES:
N#Cc1snnc1C
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.005g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.149g/mol
Monoisotopic Mass:
125.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties