[(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol

C9H16OS — CID 12607609

IUPAC[(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCS[C@@H]1C[C@H]2C[C@H](CO)[C@H]1C2
InChIInChI=1S/C9H16OS/c1-11-9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1
InChIKeyJITKHNJSVHQXBE-JQCXWYLXSA-N
MW172.29 g/mol
LogP1.76
Rot. Bonds2

About [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol

[(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 12607609) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID12607609
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name[(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCS[C@@H]1C[C@H]2C[C@H](CO)[C@H]1C2
InChIInChI=1S/C9H16OS/c1-11-9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1
InChIKeyJITKHNJSVHQXBE-JQCXWYLXSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol with MolForge

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Related Compounds

[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 12607610
2-[(1R,2S,4R,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol
CID 134882564
2-(1,3,3-Trimethyl-2-sulfanyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 85878219
(5-Methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 89351523
2-Methyl-3-(6-sulfanyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 140048936
(6-Methylsulfinyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 5259379
[(1'R,4'S)-spiro[1,3-dithiane-2,3'-bicyclo[2.2.1]heptane]-2'-yl]methanol
CID 10922345
(6-Methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 12607607
1-(2-Bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol
CID 79557842
1-(2-Bicyclo[2.2.1]heptanyl)-3-ethylsulfanylpropan-2-ol
CID 79558330
1-(2-Bicyclo[2.2.1]heptanyl)-3-propylsulfanylpropan-2-ol
CID 79558331
1-(2-Bicyclo[2.2.1]heptanyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 79558430

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol (CID 12607609) is [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol is CS[C@@H]1C[C@H]2C[C@H](CO)[C@H]1C2.
What is the InChIKey of [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is JITKHNJSVHQXBE-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H16OS/c1-11-9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol?
[(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 172.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S,6R)-6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 12607609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).