cyclohexylsulfanylmethanethiol

C7H14S2 — CID 117033718

IUPACcyclohexylsulfanylmethanethiol
SMILESSCSC1CCCCC1
InChIInChI=1S/C7H14S2/c8-6-9-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyPITLYXLZXGZXRJ-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.94
Rot. Bonds2

About cyclohexylsulfanylmethanethiol

cyclohexylsulfanylmethanethiol (PubChem CID 117033718) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is cyclohexylsulfanylmethanethiol.

Molecular Properties

Compound Namecyclohexylsulfanylmethanethiol
PubChem CID117033718
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Namecyclohexylsulfanylmethanethiol
SMILESSCSC1CCCCC1
InChIInChI=1S/C7H14S2/c8-6-9-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyPITLYXLZXGZXRJ-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexylsulfanylmethanethioic S-acid
CID 18471930
Cyclohexylsulfanylmethanedithioic acid
CID 20467664
Sodium cyclohexylsulfanylmethanedithioate
CID 23705390
(Cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid
CID 87477788
1-Pentylsulfanylcyclohexane-1-thiol
CID 88688245
2-Methylsulfanylcyclohexane-1-thiol
CID 88978519
4-Methylsulfanylcyclohexane-1-thiol
CID 123444988
1-Ethylsulfanylcyclohexane-1-thiol
CID 140371115
Cyclohexyl-methyl-sulfanylidene-lambda4-sulfane
CID 140418746
Cyclohexyl(methyl)sulfanium
CID 140814352
2-[1-(2-Sulfanylethylsulfanyl)cyclohexyl]sulfanylethanethiol
CID 155329231
3-[1-(3-Sulfanylpropylsulfanyl)cyclohexyl]sulfanylpropane-1-thiol
CID 155329234

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanylmethanethiol?
The IUPAC name of cyclohexylsulfanylmethanethiol (CID 117033718) is cyclohexylsulfanylmethanethiol.
What is the SMILES notation for cyclohexylsulfanylmethanethiol?
The canonical SMILES for cyclohexylsulfanylmethanethiol is SCSC1CCCCC1.
What is the InChIKey of cyclohexylsulfanylmethanethiol?
The InChIKey is PITLYXLZXGZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c8-6-9-7-4-2-1-3-5-7/h7-8H,1-6H2.
What are the key properties of cyclohexylsulfanylmethanethiol?
cyclohexylsulfanylmethanethiol has a molecular weight of 162.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanylmethanethiol is sourced from PubChem (CID 117033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).