cyclohexylsulfonylmethanethiol

C7H14O2S2 — CID 117036891

IUPACcyclohexylsulfonylmethanethiol
SMILESO=S(=O)(CS)C1CCCCC1
InChIInChI=1S/C7H14O2S2/c8-11(9,6-10)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyYVPQIRATFSAXBH-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.62
Rot. Bonds2

About cyclohexylsulfonylmethanethiol

cyclohexylsulfonylmethanethiol (PubChem CID 117036891) has the molecular formula C7H14O2S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is cyclohexylsulfonylmethanethiol.

Molecular Properties

Compound Namecyclohexylsulfonylmethanethiol
PubChem CID117036891
Molecular FormulaC7H14O2S2
Molecular Weight194.32 g/mol
Exact Mass194.04
IUPAC Namecyclohexylsulfonylmethanethiol
SMILESO=S(=O)(CS)C1CCCCC1
InChIInChI=1S/C7H14O2S2/c8-11(9,6-10)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyYVPQIRATFSAXBH-UHFFFAOYSA-N
XLogP1.62
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentylsulfonylacetaldehyde
CID 66222613
nitromethylsulfonylcyclohexane
CID 6919128
2-cyclohexylsulfonyl-1-cyclopentylethanone
CID 104756158
N-(cyclohexylsulfonylmethyl)ethanamine
CID 117036374
4-bromobutylsulfonylcyclohexane
CID 60872498
heptylsulfonylcyclooctane
CID 134525047
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
undecylsulfonylcyclohexane
CID 151596280
2-cyclohexylsulfonylethaneperoxoic acid
CID 163740166
(2R)-2-(cyclopentylsulfonylmethyl)oxirane
CID 130493483
cyclooctanesulfonyl iodide
CID 22935862

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfonylmethanethiol?
The IUPAC name of cyclohexylsulfonylmethanethiol (CID 117036891) is cyclohexylsulfonylmethanethiol.
What is the SMILES notation for cyclohexylsulfonylmethanethiol?
The canonical SMILES for cyclohexylsulfonylmethanethiol is O=S(=O)(CS)C1CCCCC1.
What is the InChIKey of cyclohexylsulfonylmethanethiol?
The InChIKey is YVPQIRATFSAXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S2/c8-11(9,6-10)7-4-2-1-3-5-7/h7,10H,1-6H2.
What are the key properties of cyclohexylsulfonylmethanethiol?
cyclohexylsulfonylmethanethiol has a molecular weight of 194.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfonylmethanethiol is sourced from PubChem (CID 117036891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).