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117504-26-4 | 4-Isothiazoleacetonitrile,3,5-dimethyl-
CAS No: 117504-26-4 Catalog No: AG007QXQ MDL No:
Product Description
Catalog Number:
AG007QXQ
Chemical Name:
4-Isothiazoleacetonitrile,3,5-dimethyl-
CAS Number:
117504-26-4
Molecular Formula:
C7H8N2S
Molecular Weight:
152.2168
IUPAC Name:
2-(3,5-dimethyl-1,2-thiazol-4-yl)acetonitrile
InChI:
InChI=1S/C7H8N2S/c1-5-7(3-4-8)6(2)10-9-5/h3H2,1-2H3
InChI Key:
AZUPEAGGWDYJIS-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)nsc1C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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