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1452-16-0 | 2-Cyanothiazole
CAS No: 1452-16-0 Catalog No: AG0033FY MDL No:MFCD09702472
Product Description
Catalog Number:
AG0033FY
Chemical Name:
2-Cyanothiazole
CAS Number:
1452-16-0
Molecular Formula:
C4H2N2S
Molecular Weight:
110.1371
MDL Number:
MFCD09702472
IUPAC Name:
1,3-thiazole-2-carbonitrile
InChI:
InChI=1S/C4H2N2S/c5-3-4-6-1-2-7-4/h1-2H
InChI Key:
ZIRGWUZHKJDYKT-UHFFFAOYSA-N
SMILES:
N#Cc1nccs1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.994g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.134g/mol
Monoisotopic Mass:
109.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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