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3684-00-2 | 1-ISOTHIAZOL-5-YL-ETHANONE
CAS No: 3684-00-2 Catalog No: AG00BZPJ MDL No:MFCD07369961
Product Description
Catalog Number:
AG00BZPJ
Chemical Name:
1-ISOTHIAZOL-5-YL-ETHANONE
CAS Number:
3684-00-2
Molecular Formula:
C5H5NOS
Molecular Weight:
127.1643
MDL Number:
MFCD07369961
IUPAC Name:
1-(1,2-thiazol-5-yl)ethanone
InChI:
InChI=1S/C5H5NOS/c1-4(7)5-2-3-6-8-5/h2-3H,1H3
InChI Key:
MBWMPBZHWMUNDQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccns1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.161g/mol
Monoisotopic Mass:
127.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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