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136811-74-0 | Cyclohexanamine, N-ethyl-1-(4-isothiocyanato-2-thienyl)-
CAS No: 136811-74-0 Catalog No: AG0012E0 MDL No:
Product Description
Catalog Number:
AG0012E0
Chemical Name:
Cyclohexanamine, N-ethyl-1-(4-isothiocyanato-2-thienyl)-
CAS Number:
136811-74-0
Molecular Formula:
C13H18N2S2
Molecular Weight:
266.4254
IUPAC Name:
N-ethyl-1-(4-isothiocyanatothiophen-2-yl)cyclohexan-1-amine
InChI:
InChI=1S/C13H18N2S2/c1-2-15-13(6-4-3-5-7-13)12-8-11(9-17-12)14-10-16/h8-9,15H,2-7H2,1H3
InChI Key:
IHSZKUSHJRNQBN-UHFFFAOYSA-N
SMILES:
CCNC1(CCCCC1)c1scc(c1)N=C=S
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.421g/mol
Monoisotopic Mass:
266.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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