1-(disulfanyl)pentane

C5H12S2 — CID 21251947

IUPAC1-(disulfanyl)pentane
SMILESCCCCCSS
InChIInChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3
InChIKeyDPLYGYOSWLFGGY-UHFFFAOYSA-N
MW136.28 g/mol
LogP2.75
Rot. Bonds4

About 1-(disulfanyl)pentane

1-(disulfanyl)pentane (PubChem CID 21251947) has the molecular formula C5H12S2 and a molecular weight of 136.28 g/mol. Its IUPAC name is 1-(disulfanyl)pentane.

Molecular Properties

Compound Name1-(disulfanyl)pentane
PubChem CID21251947
Molecular FormulaC5H12S2
Molecular Weight136.28 g/mol
Exact Mass136.04
IUPAC Name1-(disulfanyl)pentane
SMILESCCCCCSS
InChIInChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3
InChIKeyDPLYGYOSWLFGGY-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', '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
Amyl methyl disulfide
CID 522459
1,2-Butanedithiol
CID 61829

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)pentane?
The IUPAC name of 1-(disulfanyl)pentane (CID 21251947) is 1-(disulfanyl)pentane.
What is the SMILES notation for 1-(disulfanyl)pentane?
The canonical SMILES for 1-(disulfanyl)pentane is CCCCCSS.
What is the InChIKey of 1-(disulfanyl)pentane?
The InChIKey is DPLYGYOSWLFGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3.
What are the key properties of 1-(disulfanyl)pentane?
1-(disulfanyl)pentane has a molecular weight of 136.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)pentane is sourced from PubChem (CID 21251947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).