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189760-34-7 | 1-Hexen-3-ol, 1-(methylthio)-1-(2-propen-1-ylthio)-
CAS No: 189760-34-7 Catalog No: AG002DXJ MDL No:
Product Description
Catalog Number:
AG002DXJ
Chemical Name:
1-Hexen-3-ol, 1-(methylthio)-1-(2-propen-1-ylthio)-
CAS Number:
189760-34-7
Molecular Formula:
C10H18OS2
Molecular Weight:
218.3793
IUPAC Name:
1-methylsulfanyl-1-prop-2-enylsulfanylhex-1-en-3-ol
InChI:
InChI=1S/C10H18OS2/c1-4-6-9(11)8-10(12-3)13-7-5-2/h5,8-9,11H,2,4,6-7H2,1,3H3
InChI Key:
IGFKDAVBOGCQFR-UHFFFAOYSA-N
SMILES:
CCCC(C=C(SCC=C)SC)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.373g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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