1-(4-sulfanylbutyl)cyclohexane-1-thiol

C10H20S2 — CID 118040907

IUPAC1-(4-sulfanylbutyl)cyclohexane-1-thiol
SMILESSCCCCC1(S)CCCCC1
InChIInChI=1S/C10H20S2/c11-9-5-4-8-10(12)6-2-1-3-7-10/h11-12H,1-9H2
InChIKeyFBVXOUNISAXPAV-UHFFFAOYSA-N
MW204.40 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-sulfanylbutyl)cyclohexane-1-thiol

1-(4-sulfanylbutyl)cyclohexane-1-thiol (PubChem CID 118040907) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is 1-(4-sulfanylbutyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name1-(4-sulfanylbutyl)cyclohexane-1-thiol
PubChem CID118040907
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name1-(4-sulfanylbutyl)cyclohexane-1-thiol
SMILESSCCCCC1(S)CCCCC1
InChIInChI=1S/C10H20S2/c11-9-5-4-8-10(12)6-2-1-3-7-10/h11-12H,1-9H2
InChIKeyFBVXOUNISAXPAV-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecylcyclohexane-1-thiol
CID 165176793
1-(chloromethyl)cyclohexane-1-thiol
CID 22460310
1-[2-(2,3,4,5,6,7,8,9,10,10a-decahydro-1H-benzo[8]annulen-4a-yl)ethyl]cyclopentane-1-thiol
CID 166778345
tetracosane-1,24-dithiol
CID 87293915
octatriacontane-1,38-dithiol
CID 154319638
1-(cyclohexylmethyl)cyclohexane-1-thiol
CID 144560973
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
nonane-1,9-dithiol;silver
CID 87575502
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
1,1-dipentylcyclononane
CID 169026027

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfanylbutyl)cyclohexane-1-thiol?
The IUPAC name of 1-(4-sulfanylbutyl)cyclohexane-1-thiol (CID 118040907) is 1-(4-sulfanylbutyl)cyclohexane-1-thiol.
What is the SMILES notation for 1-(4-sulfanylbutyl)cyclohexane-1-thiol?
The canonical SMILES for 1-(4-sulfanylbutyl)cyclohexane-1-thiol is SCCCCC1(S)CCCCC1.
What is the InChIKey of 1-(4-sulfanylbutyl)cyclohexane-1-thiol?
The InChIKey is FBVXOUNISAXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S2/c11-9-5-4-8-10(12)6-2-1-3-7-10/h11-12H,1-9H2.
What are the key properties of 1-(4-sulfanylbutyl)cyclohexane-1-thiol?
1-(4-sulfanylbutyl)cyclohexane-1-thiol has a molecular weight of 204.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfanylbutyl)cyclohexane-1-thiol is sourced from PubChem (CID 118040907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).