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Home > Thiazole > 1378802-88-0
1378802-88-0 | 2-cyano-4,5-diMethylthiaz...
CAS No: 1378802-88-0 Catalog No: AG00AAXC MDL No:MFCD19440547
Product Description
Catalog Number:
AG00AAXC
Chemical Name:
2-cyano-4,5-diMethylthiaz...
CAS Number:
1378802-88-0
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
MDL Number:
MFCD19440547
IUPAC Name:
4,5-dimethyl-1,3-thiazole-2-carbonitrile
InChI:
InChI=1S/C6H6N2S/c1-4-5(2)9-6(3-7)8-4/h1-2H3
InChI Key:
ZQCVWNPIDGVSCV-UHFFFAOYSA-N
SMILES:
N#Cc1sc(c(n1)C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.188g/mol
Monoisotopic Mass:
138.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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