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25444-99-9 | 2(3H)-Thiazolone, 4,5-dimethyl-
CAS No: 25444-99-9 Catalog No: AG01DUBQ MDL No:MFCD11632175
Product Description
Catalog Number:
AG01DUBQ
Chemical Name:
2(3H)-Thiazolone, 4,5-dimethyl-
CAS Number:
25444-99-9
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
MDL Number:
MFCD11632175
IUPAC Name:
4,5-dimethyl-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C5H7NOS/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChI Key:
IPDFOEVQPAUJHG-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(c(s1)C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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