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499796-81-5 | 1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]ethan-1-one
CAS No: 499796-81-5 Catalog No: AG00IUHG MDL No:MFCD28347940
Product Description
Catalog Number:
AG00IUHG
Chemical Name:
1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
499796-81-5
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
MDL Number:
MFCD28347940
IUPAC Name:
1-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C10H10N2OS/c1-7-9(8(2)13)14-10(11-7)12-5-3-4-6-12/h3-6H,1-2H3
InChI Key:
MVARLJMFRDOZSU-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(nc1C)n1cccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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