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10160-81-3 | Ethanethiol, 2-(cyclohexylthio)-
CAS No: 10160-81-3 Catalog No: AG0004XP MDL No:
Product Description
Catalog Number:
AG0004XP
Chemical Name:
Ethanethiol, 2-(cyclohexylthio)-
CAS Number:
10160-81-3
Molecular Formula:
C8H16S2
Molecular Weight:
176.3426
IUPAC Name:
2-cyclohexylsulfanylethanethiol
InChI:
InChI=1S/C8H16S2/c9-6-7-10-8-4-2-1-3-5-8/h8-9H,1-7H2
InChI Key:
SITRHIYWGAHLBB-UHFFFAOYSA-N
SMILES:
SCCSC1CCCCC1
Properties
Complexity:
77.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.336g/mol
Monoisotopic Mass:
176.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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