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57352-00-8 | 3-Methylisothiazole-5-carbonitrile
CAS No: 57352-00-8 Catalog No: AG00EDBR MDL No:
Product Description
Catalog Number:
AG00EDBR
Chemical Name:
3-Methylisothiazole-5-carbonitrile
CAS Number:
57352-00-8
IUPAC Name:
3-methyl-1,2-thiazole-5-carbonitrile
InChI:
InChI=1S/C5H4N2S/c1-4-2-5(3-6)8-7-4/h2H,1H3
InChI Key:
RLKZZTIAXGIKFV-UHFFFAOYSA-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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