(methyldisulfanyl)cyclopentane

C6H12S2 — CID 87128146

IUPAC(methyldisulfanyl)cyclopentane
SMILESCSSC1CCCC1
InChIInChI=1S/C6H12S2/c1-7-8-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyIVJKKKRRJVGZRI-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.94
Rot. Bonds2

About (methyldisulfanyl)cyclopentane

(methyldisulfanyl)cyclopentane (PubChem CID 87128146) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is (methyldisulfanyl)cyclopentane.

Molecular Properties

Compound Name(methyldisulfanyl)cyclopentane
PubChem CID87128146
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name(methyldisulfanyl)cyclopentane
SMILESCSSC1CCCC1
InChIInChI=1S/C6H12S2/c1-7-8-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyIVJKKKRRJVGZRI-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Amyl methyl disulfide
CID 522459
1-Pentanesulfenothioic acid
CID 21251947
1,2-Dimercaptocyclopentane
CID 12371414
1,2-Dithiolane, 3-propyl-
CID 155530
(3R)-3-propyldithiolane
CID 13039504
3-Ethyl-1,2-dithiolane
CID 18689485
Diathyltrithiolan
CID 129632532
Methyl pentyl trisulfide
CID 91751019
3,5-Dimethyldithiolane
CID 12397703
(3S,5R)-3,5-dimethyldithiolane
CID 10558670
(3S,5S)-3,5-dimethyldithiolane
CID 71444981
(Propyldisulfanyl)cyclopentane
CID 10171282

Frequently Asked Questions

What is the IUPAC name of (methyldisulfanyl)cyclopentane?
The IUPAC name of (methyldisulfanyl)cyclopentane (CID 87128146) is (methyldisulfanyl)cyclopentane.
What is the SMILES notation for (methyldisulfanyl)cyclopentane?
The canonical SMILES for (methyldisulfanyl)cyclopentane is CSSC1CCCC1.
What is the InChIKey of (methyldisulfanyl)cyclopentane?
The InChIKey is IVJKKKRRJVGZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-7-8-6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of (methyldisulfanyl)cyclopentane?
(methyldisulfanyl)cyclopentane has a molecular weight of 148.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl)cyclopentane is sourced from PubChem (CID 87128146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).