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24475-56-7 | Ethanol, 2-(hexylthio)-
CAS No: 24475-56-7 Catalog No: AG002O91 MDL No:
Product Description
Catalog Number:
AG002O91
Chemical Name:
Ethanol, 2-(hexylthio)-
CAS Number:
24475-56-7
Molecular Formula:
C8H18OS
Molecular Weight:
162.2929
IUPAC Name:
2-hexylsulfanylethanol
InChI:
InChI=1S/C8H18OS/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
InChI Key:
ZMGLDPZVDZFNLE-UHFFFAOYSA-N
SMILES:
CCCCCCSCCO
EC Number:
246-282-0
NSC Number:
84220
Properties
Complexity:
57.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.108g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.291g/mol
Monoisotopic Mass:
162.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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