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854728-39-5 | Cyclohexanamine, 2-(phenylthio)-
CAS No: 854728-39-5 Catalog No: AG004JR2 MDL No:
Product Description
Catalog Number:
AG004JR2
Chemical Name:
Cyclohexanamine, 2-(phenylthio)-
CAS Number:
854728-39-5
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
IUPAC Name:
2-phenylsulfanylcyclohexan-1-amine
InChI:
InChI=1S/C12H17NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2
InChI Key:
NTDUOJYZJWREQU-UHFFFAOYSA-N
SMILES:
NC1CCCCC1Sc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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