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13140-69-7 | Thiourea, N-phenyl-N'-3-pyridinyl-
CAS No: 13140-69-7 Catalog No: AG000W4O MDL No:
Product Description
Catalog Number:
AG000W4O
Chemical Name:
Thiourea, N-phenyl-N'-3-pyridinyl-
CAS Number:
13140-69-7
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
IUPAC Name:
1-phenyl-3-pyridin-3-ylthiourea
InChI:
InChI=1S/C12H11N3S/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
InChI Key:
WEBCASPSGDNATE-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccnc1)Nc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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