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852202-60-9 | Thiourea, N,N'-bis[(1R,2R)-2-(dimethylamino)cyclohexyl]-
CAS No: 852202-60-9 Catalog No: AG004M5L MDL No:
Product Description
Catalog Number:
AG004M5L
Chemical Name:
Thiourea, N,N'-bis[(1R,2R)-2-(dimethylamino)cyclohexyl]-
CAS Number:
852202-60-9
Molecular Formula:
C17H34N4S
Molecular Weight:
326.5437
IUPAC Name:
1,3-bis[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea
InChI:
InChI=1S/C17H34N4S/c1-20(2)15-11-7-5-9-13(15)18-17(22)19-14-10-6-8-12-16(14)21(3)4/h13-16H,5-12H2,1-4H3,(H2,18,19,22)/t13-,14-,15-,16-/m1/s1
InChI Key:
RBPDVCLNIQSBPR-KLHDSHLOSA-N
SMILES:
S=C(N[C@@H]1CCCC[C@H]1N(C)C)N[C@@H]1CCCC[C@H]1N(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
326.25g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.547g/mol
Monoisotopic Mass:
326.25g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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