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938006-82-7 | 1-[2-(1,5-DIMETHYL-1H-PYRROL-2-YL)-4-METHYL-1,3-THIAZOL-5-YL]ETHANONE
CAS No: 938006-82-7 Catalog No: AG01AOCE MDL No:MFCD08558315
Product Description
Catalog Number:
AG01AOCE
Chemical Name:
1-[2-(1,5-DIMETHYL-1H-PYRROL-2-YL)-4-METHYL-1,3-THIAZOL-5-YL]ETHANONE
CAS Number:
938006-82-7
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD08558315
IUPAC Name:
1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C12H14N2OS/c1-7-5-6-10(14(7)4)12-13-8(2)11(16-12)9(3)15/h5-6H,1-4H3
InChI Key:
WDUVCNLEJCQDFI-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(nc1C)c1ccc(n1C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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