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127024-74-2 | Thiourea, N-(2-cyanophenyl)-N'-cyclohexyl-
CAS No: 127024-74-2 Catalog No: AG000WK1 MDL No:
Product Description
Catalog Number:
AG000WK1
Chemical Name:
Thiourea, N-(2-cyanophenyl)-N'-cyclohexyl-
CAS Number:
127024-74-2
Molecular Formula:
C14H17N3S
Molecular Weight:
259.3699
IUPAC Name:
1-(2-cyanophenyl)-3-cyclohexylthiourea
InChI:
InChI=1S/C14H17N3S/c15-10-11-6-4-5-9-13(11)17-14(18)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H2,16,17,18)
InChI Key:
JBKOJVQVXABCOT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NC(=S)NC1CCCCC1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.371g/mol
Monoisotopic Mass:
259.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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