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832099-03-3 | Thiourea, [3-[(3-methoxyphenyl)methyl]phenyl]-
CAS No: 832099-03-3 Catalog No: AG004UZY MDL No:
Product Description
Catalog Number:
AG004UZY
Chemical Name:
Thiourea, [3-[(3-methoxyphenyl)methyl]phenyl]-
CAS Number:
832099-03-3
Molecular Formula:
C15H16N2OS
Molecular Weight:
272.3653
IUPAC Name:
[3-[(3-methoxyphenyl)methyl]phenyl]thiourea
InChI:
InChI=1S/C15H16N2OS/c1-18-14-7-3-5-12(10-14)8-11-4-2-6-13(9-11)17-15(16)19/h2-7,9-10H,8H2,1H3,(H3,16,17,19)
InChI Key:
YOSSYFDRJQJTRS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Cc1cccc(c1)NC(=S)N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.366g/mol
Monoisotopic Mass:
272.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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