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82010-85-3 | Ethanol,2-(5-hexen-1-ylthio)-
CAS No: 82010-85-3 Catalog No: AG005EPI MDL No:
Product Description
Catalog Number:
AG005EPI
Chemical Name:
Ethanol,2-(5-hexen-1-ylthio)-
CAS Number:
82010-85-3
Molecular Formula:
C8H16OS
Molecular Weight:
160.2770
IUPAC Name:
2-hex-5-enylsulfanylethanol
InChI:
InChI=1S/C8H16OS/c1-2-3-4-5-7-10-8-6-9/h2,9H,1,3-8H2
InChI Key:
QLRYIIWLWDKURG-UHFFFAOYSA-N
SMILES:
OCCSCCCCC=C
EC Number:
279-880-5
Properties
Complexity:
73.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.092g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.275g/mol
Monoisotopic Mass:
160.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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