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138597-95-2 | Thiourea, N-(4-chlorophenyl)-N'-(2-hydroxy-1-naphthalenyl)-
CAS No: 138597-95-2 Catalog No: AG0018U7 MDL No:
Product Description
Catalog Number:
AG0018U7
Chemical Name:
Thiourea, N-(4-chlorophenyl)-N'-(2-hydroxy-1-naphthalenyl)-
CAS Number:
138597-95-2
Molecular Formula:
C17H13ClN2OS
Molecular Weight:
328.8159
IUPAC Name:
1-(4-chlorophenyl)-3-(2-hydroxynaphthalen-1-yl)thiourea
InChI:
InChI=1S/C17H13ClN2OS/c18-12-6-8-13(9-7-12)19-17(22)20-16-14-4-2-1-3-11(14)5-10-15(16)21/h1-10,21H,(H2,19,20,22)
InChI Key:
WEIUEQWITDEUSE-UHFFFAOYSA-N
SMILES:
S=C(Nc1c(O)ccc2c1cccc2)Nc1ccc(cc1)Cl
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.814g/mol
Monoisotopic Mass:
328.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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