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100516-98-1,MFCD08276856
Catalog No.:AA00025O
100516-98-1 | 4-Methylthiazole-2-carbonitrile
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1g
97%
1 week  
$296.00   $207.00
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Technical Information
Catalog Number:
AA00025O
Chemical Name:
4-Methylthiazole-2-carbonitrile
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
Computed 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  

Synonyms
 
4-Methylthiazole-2-carbonitrile 
100516-98-1 
DTXSID10584785 
ZLJOKRUAKFPDRN-UHFFFAOYSA-N 
0220AA 
MFCD08276856 
ZINC43681906 
AKOS016009427 
4-Methylthiazole-2-carbonitrile, 97% 
MCULE-3702297635 
PB10548 
QC-6185 
4-METHYL-1,3-THIAZOLE-2-CARBONITRILE 
TRA0073596 
AS-50562 
AB0096535 
AJ-108733 
RT-020490 
FT-0724194 
Q-1887 
J-000154 
Z1675167158 
C5H4N2S 
2-Thiazolecarbonitrile, 4-methyl- 
4-METHYL-2-THIAZOLECARBONITRILE 
2-Thiazolecarbonitrile,4-methyl- 
ACMC-20e8j3 
SCHEMBL128311 
CTK3J9035 
4-methyl-thiazole-2-carbonitrile 
Literature
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