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1215-91-4 | Thiourea, N-(3-methylphenyl)-N'-phenyl-
CAS No: 1215-91-4 Catalog No: AG00152V MDL No:
Product Description
Catalog Number:
AG00152V
Chemical Name:
Thiourea, N-(3-methylphenyl)-N'-phenyl-
CAS Number:
1215-91-4
Molecular Formula:
C14H14N2S
Molecular Weight:
242.3394
IUPAC Name:
1-(3-methylphenyl)-3-phenylthiourea
InChI:
InChI=1S/C14H14N2S/c1-11-6-5-9-13(10-11)16-14(17)15-12-7-3-2-4-8-12/h2-10H,1H3,(H2,15,16,17)
InChI Key:
MHKFCCJUQZAXSH-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc(c1)C)Nc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.34g/mol
Monoisotopic Mass:
242.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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