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126145-80-0 | Thiourea, [(2-amino-5-methylphenyl)phenylmethylene]phenyl-, (Z)- (9CI)
CAS No: 126145-80-0 Catalog No: AG000RRM MDL No:
Product Description
Catalog Number:
AG000RRM
Chemical Name:
Thiourea, [(2-amino-5-methylphenyl)phenylmethylene]phenyl-, (Z)- (9CI)
CAS Number:
126145-80-0
Molecular Formula:
C21H19N3S
Molecular Weight:
345.4607
IUPAC Name:
1-[(2-amino-5-methylphenyl)-phenylmethylidene]-3-phenylthiourea
InChI:
InChI=1S/C21H19N3S/c1-15-12-13-19(22)18(14-15)20(16-8-4-2-5-9-16)24-21(25)23-17-10-6-3-7-11-17/h2-14H,22H2,1H3,(H,23,25)
InChI Key:
CALZNNLCRVFAMX-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)/C(=N\C(=S)Nc1ccccc1)/c1ccccc1)N
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.13g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.464g/mol
Monoisotopic Mass:
345.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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