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832098-97-2 | Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]-
CAS No: 832098-97-2 Catalog No: AG004ZYI MDL No:
Product Description
Catalog Number:
AG004ZYI
Chemical Name:
Thiourea, [4-(trans-4-hexylcyclohexyl)phenyl]-
CAS Number:
832098-97-2
Molecular Formula:
C19H30N2S
Molecular Weight:
318.5199
IUPAC Name:
[4-(4-hexylcyclohexyl)phenyl]thiourea
InChI:
InChI=1S/C19H30N2S/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)22/h11-16H,2-10H2,1H3,(H3,20,21,22)
InChI Key:
WLMUGDWAMLADNA-UHFFFAOYSA-N
SMILES:
CCCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)NC(=S)N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.213g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.523g/mol
Monoisotopic Mass:
318.213g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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