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89437-05-8 | Cyclohexanetriethanethiol
CAS No: 89437-05-8 Catalog No: AG00441G MDL No:
Product Description
Catalog Number:
AG00441G
Chemical Name:
Cyclohexanetriethanethiol
CAS Number:
89437-05-8
Molecular Formula:
C12H24S3
Molecular Weight:
264.5140
IUPAC Name:
2-[2,2-bis(2-sulfanylethyl)cyclohexyl]ethanethiol
InChI:
InChI=1S/C12H24S3/c13-8-4-11-3-1-2-5-12(11,6-9-14)7-10-15/h11,13-15H,1-10H2
InChI Key:
SARBOZHVLLAHOC-UHFFFAOYSA-N
SMILES:
SCCC1CCCCC1(CCS)CCS
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.504g/mol
Monoisotopic Mass:
264.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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