1-(ethyltrisulfanyl)propane

C5H12S3 — CID 53425122

IUPAC1-(ethyltrisulfanyl)propane
SMILESCCCSSSCC
InChIInChI=1S/C5H12S3/c1-3-5-7-8-6-4-2/h3-5H2,1-2H3
InChIKeySHEIYCJSZOMHMI-UHFFFAOYSA-N
MW168.35 g/mol
LogP3.45
Rot. Bonds5

About 1-(ethyltrisulfanyl)propane

1-(ethyltrisulfanyl)propane (PubChem CID 53425122) has the molecular formula C5H12S3 and a molecular weight of 168.35 g/mol. Its IUPAC name is 1-(ethyltrisulfanyl)propane.

Molecular Properties

Compound Name1-(ethyltrisulfanyl)propane
PubChem CID53425122
Molecular FormulaC5H12S3
Molecular Weight168.35 g/mol
Exact Mass168.01
IUPAC Name1-(ethyltrisulfanyl)propane
SMILESCCCSSSCC
InChIInChI=1S/C5H12S3/c1-3-5-7-8-6-4-2/h3-5H2,1-2H3
InChIKeySHEIYCJSZOMHMI-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.35
LogP ≤ 53.45
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
Butanethiol
CID 8012
2-Butanethiol
CID 10560
Diethyl disulfide
CID 8077
Dipropyl trisulfide
CID 22383
Methyl propyl disulfide
CID 16592
2,3-Butanedithiol
CID 548353
Butyl disulfide
CID 12386
Diethyl trisulfide
CID 77151
Methyl propyl trisulfide
CID 5319765
Diisopropyl disulfide
CID 77932
Di-sec-butyl disulfide
CID 94314

Frequently Asked Questions

What is the IUPAC name of 1-(ethyltrisulfanyl)propane?
The IUPAC name of 1-(ethyltrisulfanyl)propane (CID 53425122) is 1-(ethyltrisulfanyl)propane.
What is the SMILES notation for 1-(ethyltrisulfanyl)propane?
The canonical SMILES for 1-(ethyltrisulfanyl)propane is CCCSSSCC.
What is the InChIKey of 1-(ethyltrisulfanyl)propane?
The InChIKey is SHEIYCJSZOMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S3/c1-3-5-7-8-6-4-2/h3-5H2,1-2H3.
What are the key properties of 1-(ethyltrisulfanyl)propane?
1-(ethyltrisulfanyl)propane has a molecular weight of 168.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyltrisulfanyl)propane is sourced from PubChem (CID 53425122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).