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39228-36-9 | 3,4,5-Trimethylisothiazole
CAS No: 39228-36-9 Catalog No: AG00D400 MDL No:
Product Description
Catalog Number:
AG00D400
Chemical Name:
3,4,5-Trimethylisothiazole
CAS Number:
39228-36-9
IUPAC Name:
3,4,5-trimethyl-1,2-thiazole
InChI:
InChI=1S/C6H9NS/c1-4-5(2)7-8-6(4)3/h1-3H3
InChI Key:
GGRRWFKQGMXXQS-UHFFFAOYSA-N
Properties
Complexity:
84.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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