Structure Database (LMSD)

Common Name
3-mercaptohexan-1-ol
Systematic Name
3-thiohexan-1-ol
Synonyms
LM ID
LMFA05000539
Status
Active
Exact Mass
Calculate m/z
134.076537
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

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

Other Databases

HMDB ID
CHEBI ID
PubChem CID

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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