(3R,5S)-5-sulfanylhexan-3-ol

C6H14OS — CID 101345541

IUPAC(3R,5S)-5-sulfanylhexan-3-ol
SMILESCC[C@@H](O)C[C@H](C)S
InChIInChI=1S/C6H14OS/c1-3-6(7)4-5(2)8/h5-8H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyCLTCBQPTBSNRIK-NTSWFWBYSA-N
MW134.24 g/mol
LogP1.47
Rot. Bonds3

About (3R,5S)-5-sulfanylhexan-3-ol

(3R,5S)-5-sulfanylhexan-3-ol (PubChem CID 101345541) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is (3R,5S)-5-sulfanylhexan-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-sulfanylhexan-3-ol
PubChem CID101345541
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name(3R,5S)-5-sulfanylhexan-3-ol
SMILESCC[C@@H](O)C[C@H](C)S
InChIInChI=1S/C6H14OS/c1-3-6(7)4-5(2)8/h5-8H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyCLTCBQPTBSNRIK-NTSWFWBYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-heptane-3,5-diol
CID 12641368
(3S)-1,1,1-trifluoro-5-sulfanylhexan-3-ol
CID 162604616
carbanide;hexane-2,4-diol;yttrium
CID 59749638
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
pentan-3-ol
CID 11428
4-methylhexane-2-thiol
CID 118408807
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
(3R,5S)-5-amino-6-methylheptan-3-ol
CID 53487701
5-methyloctan-3-ol
CID 19931017
pentan-3-ol;dihydrochloride
CID 141116397
methanol;5-methoxyhexan-3-ol
CID 171659791
5-(ethylamino)hexan-3-ol
CID 140740980

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-sulfanylhexan-3-ol?
The IUPAC name of (3R,5S)-5-sulfanylhexan-3-ol (CID 101345541) is (3R,5S)-5-sulfanylhexan-3-ol.
What is the SMILES notation for (3R,5S)-5-sulfanylhexan-3-ol?
The canonical SMILES for (3R,5S)-5-sulfanylhexan-3-ol is CC[C@@H](O)C[C@H](C)S.
What is the InChIKey of (3R,5S)-5-sulfanylhexan-3-ol?
The InChIKey is CLTCBQPTBSNRIK-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14OS/c1-3-6(7)4-5(2)8/h5-8H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (3R,5S)-5-sulfanylhexan-3-ol?
(3R,5S)-5-sulfanylhexan-3-ol has a molecular weight of 134.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-sulfanylhexan-3-ol is sourced from PubChem (CID 101345541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).