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141694-15-7 | 2H-Pyrrole-2-thione, 4-ethoxy-1,5-dihydro-1-(4-methylphenyl)-
CAS No: 141694-15-7 Catalog No: AG001GWK MDL No:
Product Description
Catalog Number:
AG001GWK
Chemical Name:
2H-Pyrrole-2-thione, 4-ethoxy-1,5-dihydro-1-(4-methylphenyl)-
CAS Number:
141694-15-7
Molecular Formula:
C13H15NOS
Molecular Weight:
233.3293
IUPAC Name:
3-ethoxy-1-(4-methylphenyl)-2H-pyrrole-5-thione
InChI:
InChI=1S/C13H15NOS/c1-3-15-12-8-13(16)14(9-12)11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3
InChI Key:
OFPHJOVHRHUJEL-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=S)N(C1)c1ccc(cc1)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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