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1633-78-9 | 1-Hexanol, 6-mercapto-
CAS No: 1633-78-9 Catalog No: AG001U0D MDL No:MFCD00068552
Product Description
Catalog Number:
AG001U0D
Chemical Name:
1-Hexanol, 6-mercapto-
CAS Number:
1633-78-9
Molecular Formula:
C6H14OS
Molecular Weight:
134.2398
MDL Number:
MFCD00068552
IUPAC Name:
6-sulfanylhexan-1-ol
InChI:
InChI=1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChI Key:
UGZAJZLUKVKCBM-UHFFFAOYSA-N
SMILES:
OCCCCCCS
Properties
Complexity:
39.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.077g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.237g/mol
Monoisotopic Mass:
134.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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