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104514-85-4 | 2(3H)-Thiazolone, 4-(1-methylethyl)-
CAS No: 104514-85-4 Catalog No: AG009Q87 MDL No:MFCD11632133
Product Description
Catalog Number:
AG009Q87
Chemical Name:
2(3H)-Thiazolone, 4-(1-methylethyl)-
CAS Number:
104514-85-4
Molecular Formula:
C6H9NOS
Molecular Weight:
143.2068
MDL Number:
MFCD11632133
IUPAC Name:
4-propan-2-yl-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C6H9NOS/c1-4(2)5-3-9-6(8)7-5/h3-4H,1-2H3,(H,7,8)
InChI Key:
CKYDGOQJQRJZIG-UHFFFAOYSA-N
SMILES:
CC(c1csc(=O)[nH]1)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:
143.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.204g/mol
Monoisotopic Mass:
143.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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