1-(methyldisulfanyl)pentane

C6H14S2 — CID 522459

IUPAC1-(methyldisulfanyl)pentane
SMILESCCCCCSSC
InChIInChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3
InChIKeyVDJXDNLYBDHPHP-UHFFFAOYSA-N
MW150.31 g/mol
LogP3.19
Rot. Bonds5

About 1-(methyldisulfanyl)pentane

1-(methyldisulfanyl)pentane (PubChem CID 522459) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 1-(methyldisulfanyl)pentane.

Molecular Properties

Compound Name1-(methyldisulfanyl)pentane
PubChem CID522459
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name1-(methyldisulfanyl)pentane
SMILESCCCCCSSC
InChIInChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3
InChIKeyVDJXDNLYBDHPHP-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dipropyl disulfide
CID 12377
Diethyl disulfide
CID 8077
Dipropyl trisulfide
CID 22383
Methyl propyl disulfide
CID 16592
1-Pentanethiol
CID 8067
2,3-Butanedithiol
CID 548353
Diethyl trisulfide
CID 77151
Methyl propyl trisulfide
CID 5319765
Diisopropyl disulfide
CID 77932
Ethyl propyl disulfide
CID 35349
1,2-Butanedithiol
CID 61829
Butyl ethyl disulfide
CID 522111

Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)pentane?
The IUPAC name of 1-(methyldisulfanyl)pentane (CID 522459) is 1-(methyldisulfanyl)pentane.
What is the SMILES notation for 1-(methyldisulfanyl)pentane?
The canonical SMILES for 1-(methyldisulfanyl)pentane is CCCCCSSC.
What is the InChIKey of 1-(methyldisulfanyl)pentane?
The InChIKey is VDJXDNLYBDHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3.
What are the key properties of 1-(methyldisulfanyl)pentane?
1-(methyldisulfanyl)pentane has a molecular weight of 150.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)pentane is sourced from PubChem (CID 522459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).