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189302-32-7 | Isothiazole, 2,5-dihydro-2,4,5-trimethyl-
CAS No: 189302-32-7 Catalog No: AG002I8E MDL No:
Product Description
Catalog Number:
AG002I8E
Chemical Name:
Isothiazole, 2,5-dihydro-2,4,5-trimethyl-
CAS Number:
189302-32-7
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
IUPAC Name:
2,4,5-trimethyl-5H-1,2-thiazole
InChI:
InChI=1S/C6H11NS/c1-5-4-7(3)8-6(5)2/h4,6H,1-3H3
InChI Key:
NPDPMHCJWNUXGZ-UHFFFAOYSA-N
SMILES:
CN1C=C(C(S1)C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.221g/mol
Monoisotopic Mass:
129.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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