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79307-64-5 | 2(3H)-Thiazolone, 5-methyl-
CAS No: 79307-64-5 Catalog No: AG005L2S MDL No:MFCD01924760
Product Description
Catalog Number:
AG005L2S
Chemical Name:
2(3H)-Thiazolone, 5-methyl-
CAS Number:
79307-64-5
Molecular Formula:
C4H5NOS
Molecular Weight:
115.1536
MDL Number:
MFCD01924760
IUPAC Name:
5-methyl-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C4H5NOS/c1-3-2-5-4(6)7-3/h2H,1H3,(H,5,6)
InChI Key:
ICMJQBNCXFJBPE-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(=O)s1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.009g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.15g/mol
Monoisotopic Mass:
115.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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