methyl (cyclohexyldisulfanyl)formate

C8H14O2S2 — CID 88806501

IUPACmethyl (cyclohexyldisulfanyl)formate
SMILESCOC(=O)SSC1CCCCC1
InChIInChI=1S/C8H14O2S2/c1-10-8(9)12-11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyJPSNHEAMXGEGOC-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.47
Rot. Bonds2

About methyl (cyclohexyldisulfanyl)formate

methyl (cyclohexyldisulfanyl)formate (PubChem CID 88806501) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is methyl (cyclohexyldisulfanyl)formate.

Molecular Properties

Compound Namemethyl (cyclohexyldisulfanyl)formate
PubChem CID88806501
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Namemethyl (cyclohexyldisulfanyl)formate
SMILESCOC(=O)SSC1CCCCC1
InChIInChI=1S/C8H14O2S2/c1-10-8(9)12-11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyJPSNHEAMXGEGOC-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-methoxyurea
CID 126986046
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
dimethyl 2-cyclohexylpropanedioate
CID 2793740
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
2-cyclohexylsulfanyl-2-oxoacetic acid
CID 118565596
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl N-cyclohexadecylcarbamate
CID 131977131
cyclohexylsulfanylformic acid
CID 57292109
N-cyclohexylsulfanyl-2,2-dimethylpropanamide
CID 169102891
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
cyclohexylsulfanyl N,N-bis(propan-2-ylsulfanyl)carbamodithioate
CID 57109387
methyl 4-cyclohexylsulfanyl-2-(methylamino)butanoate
CID 63035399

Frequently Asked Questions

What is the IUPAC name of methyl (cyclohexyldisulfanyl)formate?
The IUPAC name of methyl (cyclohexyldisulfanyl)formate (CID 88806501) is methyl (cyclohexyldisulfanyl)formate.
What is the SMILES notation for methyl (cyclohexyldisulfanyl)formate?
The canonical SMILES for methyl (cyclohexyldisulfanyl)formate is COC(=O)SSC1CCCCC1.
What is the InChIKey of methyl (cyclohexyldisulfanyl)formate?
The InChIKey is JPSNHEAMXGEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-10-8(9)12-11-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of methyl (cyclohexyldisulfanyl)formate?
methyl (cyclohexyldisulfanyl)formate has a molecular weight of 206.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (cyclohexyldisulfanyl)formate is sourced from PubChem (CID 88806501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).