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832098-79-0 | Thiourea, [3-(phenylmethyl)phenyl]-
CAS No: 832098-79-0 Catalog No: AG004ZYP MDL No:
Product Description
Catalog Number:
AG004ZYP
Chemical Name:
Thiourea, [3-(phenylmethyl)phenyl]-
CAS Number:
832098-79-0
Molecular Formula:
C14H14N2S
Molecular Weight:
242.3394
IUPAC Name:
(3-benzylphenyl)thiourea
InChI:
InChI=1S/C14H14N2S/c15-14(17)16-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,15,16,17)
InChI Key:
LDXFKNPMJRMPKT-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc(c1)Cc1ccccc1
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:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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