1-(methyltetrasulfanyl)propane

C4H10S4 — CID 528709

IUPAC1-(methyltetrasulfanyl)propane
SMILESCCCSSSSC
InChIInChI=1S/C4H10S4/c1-3-4-6-8-7-5-2/h3-4H2,1-2H3
InChIKeyQQHQQGRHGUQYLO-UHFFFAOYSA-N
MW186.39 g/mol
LogP3.70
Rot. Bonds5

About 1-(methyltetrasulfanyl)propane

1-(methyltetrasulfanyl)propane (PubChem CID 528709) has the molecular formula C4H10S4 and a molecular weight of 186.39 g/mol. Its IUPAC name is 1-(methyltetrasulfanyl)propane.

Molecular Properties

Compound Name1-(methyltetrasulfanyl)propane
PubChem CID528709
Molecular FormulaC4H10S4
Molecular Weight186.39 g/mol
Exact Mass185.97
IUPAC Name1-(methyltetrasulfanyl)propane
SMILESCCCSSSSC
InChIInChI=1S/C4H10S4/c1-3-4-6-8-7-5-2/h3-4H2,1-2H3
InChIKeyQQHQQGRHGUQYLO-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
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
Butyl ethyl disulfide
CID 522111

Frequently Asked Questions

What is the IUPAC name of 1-(methyltetrasulfanyl)propane?
The IUPAC name of 1-(methyltetrasulfanyl)propane (CID 528709) is 1-(methyltetrasulfanyl)propane.
What is the SMILES notation for 1-(methyltetrasulfanyl)propane?
The canonical SMILES for 1-(methyltetrasulfanyl)propane is CCCSSSSC.
What is the InChIKey of 1-(methyltetrasulfanyl)propane?
The InChIKey is QQHQQGRHGUQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S4/c1-3-4-6-8-7-5-2/h3-4H2,1-2H3.
What are the key properties of 1-(methyltetrasulfanyl)propane?
1-(methyltetrasulfanyl)propane has a molecular weight of 186.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyltetrasulfanyl)propane is sourced from PubChem (CID 528709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).