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18391-75-8 | 2-phenyl-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
CAS No: 18391-75-8 Catalog No: AG007SO1 MDL No:
Product Description
Catalog Number:
AG007SO1
Chemical Name:
2-phenyl-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
CAS Number:
18391-75-8
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
IUPAC Name:
2-phenyl-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
InChI:
InChI=1S/C13H14N2OS/c16-12-11-8-4-5-9-14(11)13(17)15(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChI Key:
SUDAWXPSCFXQTB-UHFFFAOYSA-N
SMILES:
S=C1N2CCCCC2C(=O)N1c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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