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90724-49-5 | 1-(3-METHYL-ISOTHIAZOL-5-YL)-ETHANONE
CAS No: 90724-49-5 Catalog No: AG01DWTR MDL No:MFCD22070871
Product Description
Catalog Number:
AG01DWTR
Chemical Name:
1-(3-METHYL-ISOTHIAZOL-5-YL)-ETHANONE
CAS Number:
90724-49-5
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
MDL Number:
MFCD22070871
IUPAC Name:
1-(3-methyl-1,2-thiazol-5-yl)ethanone
InChI:
InChI=1S/C6H7NOS/c1-4-3-6(5(2)8)9-7-4/h3H,1-2H3
InChI Key:
AZTCKFIGYKOLKV-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)C(=O)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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