1-(methyltrisulfanyl)pentane

C6H14S3 — CID 91751019

IUPAC1-(methyltrisulfanyl)pentane
SMILESCCCCCSSSC
InChIInChI=1S/C6H14S3/c1-3-4-5-6-8-9-7-2/h3-6H2,1-2H3
InChIKeyFOEDHONXFISGJF-UHFFFAOYSA-N
MW182.38 g/mol
LogP3.84
Rot. Bonds6

About 1-(methyltrisulfanyl)pentane

1-(methyltrisulfanyl)pentane (PubChem CID 91751019) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is 1-(methyltrisulfanyl)pentane.

Molecular Properties

Compound Name1-(methyltrisulfanyl)pentane
PubChem CID91751019
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Name1-(methyltrisulfanyl)pentane
SMILESCCCCCSSSC
InChIInChI=1S/C6H14S3/c1-3-4-5-6-8-9-7-2/h3-6H2,1-2H3
InChIKeyFOEDHONXFISGJF-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
Amyl methyl disulfide
CID 522459
1,2-Butanedithiol
CID 61829

Frequently Asked Questions

What is the IUPAC name of 1-(methyltrisulfanyl)pentane?
The IUPAC name of 1-(methyltrisulfanyl)pentane (CID 91751019) is 1-(methyltrisulfanyl)pentane.
What is the SMILES notation for 1-(methyltrisulfanyl)pentane?
The canonical SMILES for 1-(methyltrisulfanyl)pentane is CCCCCSSSC.
What is the InChIKey of 1-(methyltrisulfanyl)pentane?
The InChIKey is FOEDHONXFISGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c1-3-4-5-6-8-9-7-2/h3-6H2,1-2H3.
What are the key properties of 1-(methyltrisulfanyl)pentane?
1-(methyltrisulfanyl)pentane has a molecular weight of 182.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyltrisulfanyl)pentane is sourced from PubChem (CID 91751019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).