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100516-98-1 | 2-Thiazolecarbonitrile, 4-methyl-
CAS No: 100516-98-1 Catalog No: AG00028G MDL No:MFCD08276856
Product Description
Catalog Number:
AG00028G
Chemical Name:
2-Thiazolecarbonitrile, 4-methyl-
CAS Number:
100516-98-1
Molecular Formula:
C5H4N2S
Molecular Weight:
124.1637
MDL Number:
MFCD08276856
IUPAC Name:
4-methyl-1,3-thiazole-2-carbonitrile
InChI:
InChI=1S/C5H4N2S/c1-4-3-8-5(2-6)7-4/h3H,1H3
InChI Key:
ZLJOKRUAKFPDRN-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)C#N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.01g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.161g/mol
Monoisotopic Mass:
124.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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