cyclohexyl(methylsulfanyl)methanol

C8H16OS — CID 57019176

IUPACcyclohexyl(methylsulfanyl)methanol
SMILESCSC(O)C1CCCCC1
InChIInChI=1S/C8H16OS/c1-10-8(9)7-5-3-2-4-6-7/h7-9H,2-6H2,1H3
InChIKeySPDAMDZYEUCJBK-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.25
Rot. Bonds2

About cyclohexyl(methylsulfanyl)methanol

cyclohexyl(methylsulfanyl)methanol (PubChem CID 57019176) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is cyclohexyl(methylsulfanyl)methanol.

Molecular Properties

Compound Namecyclohexyl(methylsulfanyl)methanol
PubChem CID57019176
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Namecyclohexyl(methylsulfanyl)methanol
SMILESCSC(O)C1CCCCC1
InChIInChI=1S/C8H16OS/c1-10-8(9)7-5-3-2-4-6-7/h7-9H,2-6H2,1H3
InChIKeySPDAMDZYEUCJBK-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(methylsulfanyl)methanol?
The IUPAC name of cyclohexyl(methylsulfanyl)methanol (CID 57019176) is cyclohexyl(methylsulfanyl)methanol.
What is the SMILES notation for cyclohexyl(methylsulfanyl)methanol?
The canonical SMILES for cyclohexyl(methylsulfanyl)methanol is CSC(O)C1CCCCC1.
What is the InChIKey of cyclohexyl(methylsulfanyl)methanol?
The InChIKey is SPDAMDZYEUCJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-10-8(9)7-5-3-2-4-6-7/h7-9H,2-6H2,1H3.
What are the key properties of cyclohexyl(methylsulfanyl)methanol?
cyclohexyl(methylsulfanyl)methanol has a molecular weight of 160.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(methylsulfanyl)methanol is sourced from PubChem (CID 57019176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).