Home Halogens 4-Isothiazolecarbonitrile, 5-chloro-3-methyl-

4-Isothiazolecarbonitrile, 5-chloro-3-methyl-

CAS No.:
25069-00-5
Catalog Number:
AG002QDL
Molecular Formula:
C5H3ClN2S
Molecular Weight:
158.6087
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Product Description
Catalog Number:
AG002QDL
Chemical Name:
4-Isothiazolecarbonitrile, 5-chloro-3-methyl-
CAS Number:
25069-00-5
Molecular Formula:
C5H3ClN2S
Molecular Weight:
158.6087
MDL Number:
MFCD28246450
IUPAC Name:
5-chloro-3-methyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H3ClN2S/c1-3-4(2-7)5(6)9-8-3/h1H3
InChI Key:
HMGYCNGIPRCGJE-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)snc1C
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.971g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.603g/mol
Monoisotopic Mass:
157.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties