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59815-13-3 | 1-cyclohexyl-3-[(pyridin-3-yl)methyl]thiourea
CAS No: 59815-13-3 Catalog No: AG00ITKM MDL No:MFCD03033686
Product Description
Catalog Number:
AG00ITKM
Chemical Name:
1-cyclohexyl-3-[(pyridin-3-yl)methyl]thiourea
CAS Number:
59815-13-3
Molecular Formula:
C13H19N3S
Molecular Weight:
249.3751
MDL Number:
MFCD03033686
IUPAC Name:
1-cyclohexyl-3-(pyridin-3-ylmethyl)thiourea
InChI:
InChI=1S/C13H19N3S/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H2,15,16,17)
InChI Key:
BNWFMBJOPOAAML-UHFFFAOYSA-N
SMILES:
S=C(NC1CCCCC1)NCc1cccnc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.13g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.376g/mol
Monoisotopic Mass:
249.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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