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24699-80-7 | 1-Propanethiol, 3-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-
CAS No: 24699-80-7 Catalog No: AG002P29 MDL No:
Product Description
Catalog Number:
AG002P29
Chemical Name:
1-Propanethiol, 3-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-
CAS Number:
24699-80-7
Molecular Formula:
C13H26OS
Molecular Weight:
230.4099
IUPAC Name:
3-(4-tert-butylcyclohexyl)oxypropane-1-thiol
InChI:
InChI=1S/C13H26OS/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h11-12,15H,4-10H2,1-3H3
InChI Key:
XDUJOSHCSMFIPL-UHFFFAOYSA-N
SMILES:
SCCCOC1CCC(CC1)C(C)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.17g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.41g/mol
Monoisotopic Mass:
230.17g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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