cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol

C11H20OS2 — CID 135038715

IUPACcis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CC1SCCCS1
InChIInChI=1S/C11H20OS2/c12-10-5-2-1-4-9(10)8-11-13-6-3-7-14-11/h9-12H,1-8H2/t9-,10+/m0/s1
InChIKeyLPLIAQABRCORSA-VHSXEESVSA-N
MW232.41 g/mol
LogP3.12
Rot. Bonds2

About cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol

cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol (PubChem CID 135038715) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol
PubChem CID135038715
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Namecis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CC1SCCCS1
InChIInChI=1S/C11H20OS2/c12-10-5-2-1-4-9(10)8-11-13-6-3-7-14-11/h9-12H,1-8H2/t9-,10+/m0/s1
InChIKeyLPLIAQABRCORSA-VHSXEESVSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dithiaspiro[5.11]heptadec-7-ylmethanol
CID 382564
2-Methyl-octahydro-thiochromen-4-ol
CID 2827615
Cyclohexyl(1,3-dithian-2-yl)methanol
CID 12556860
(1S,2R,6S)-2-(1,3-dithian-2-yl)-6-[(1S)-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
CID 14764451
(2S,3R)-1-(1,3-dithian-2-yl)-2-methylheptan-3-ol
CID 56945475
Cyclohexyl(1,3-dithiolan-2-yl)methanol
CID 102480166
2-(Methylthiomethyl)cyclohexan-1-ol
CID 126972050
(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
CID 135062102
2-(3,3-Difluorocyclohexyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 114224720
1-Cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol
CID 10978417
2-Cyclohexyl-1,3-dithian-5-ol
CID 18363963
2-(2-Methyl-1,3-dithian-2-yl)cyclohexan-1-ol
CID 18363966

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol (CID 135038715) is cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1CC1SCCCS1.
What is the InChIKey of cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is LPLIAQABRCORSA-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20OS2/c12-10-5-2-1-4-9(10)8-11-13-6-3-7-14-11/h9-12H,1-8H2/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol?
cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 232.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 135038715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).