Structure Database (LMSD)
Common Name
3-mercaptohexan-1-ol
Systematic Name
3-thiohexan-1-ol
Synonyms
3D model of 3-mercaptohexan-1-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
TYZFMFVWHZKYSE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
SMILES (Click to copy)
CCCC(S)CCO
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
139.66
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.04
Molar Refractivity
40.39
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Created at
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Updated at
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