(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol

C9H16OS — CID 12607607

IUPAC(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESCSC1CC2CC(CO)C1C2
InChIInChI=1S/C9H16OS/c1-11-9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3
InChIKeyJITKHNJSVHQXBE-UHFFFAOYSA-N
MW172.29 g/mol
LogP1.76
Rot. Bonds2

About (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol

(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol (PubChem CID 12607607) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol.

Molecular Properties

Compound Name(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
PubChem CID12607607
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESCSC1CC2CC(CO)C1C2
InChIInChI=1S/C9H16OS/c1-11-9-4-6-2-7(5-10)8(9)3-6/h6-10H,2-5H2,1H3
InChIKeyJITKHNJSVHQXBE-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
The IUPAC name of (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol (CID 12607607) is (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol.
What is the SMILES notation for (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
The canonical SMILES for (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol is CSC1CC2CC(CO)C1C2.
What is the InChIKey of (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
The InChIKey is JITKHNJSVHQXBE-UHFFFAOYSA-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.
What are the key properties of (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
(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 (6-methylsulfanyl-2-bicyclo[2.2.1]heptanyl)methanol is sourced from PubChem (CID 12607607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).