trisulfanylethane

C2H6S3 — CID 15773585

IUPACtrisulfanylethane
SMILESCCSSS
InChIInChI=1S/C2H6S3/c1-2-4-5-3/h3H,2H2,1H3
InChIKeyAKGRVZBVOBKUAM-UHFFFAOYSA-N
MW126.27 g/mol
LogP2.23
Rot. Bonds2

About trisulfanylethane

trisulfanylethane (PubChem CID 15773585) has the molecular formula C2H6S3 and a molecular weight of 126.27 g/mol. Its IUPAC name is trisulfanylethane.

Molecular Properties

Compound Nametrisulfanylethane
PubChem CID15773585
Molecular FormulaC2H6S3
Molecular Weight126.27 g/mol
Exact Mass125.96
IUPAC Nametrisulfanylethane
SMILESCCSSS
InChIInChI=1S/C2H6S3/c1-2-4-5-3/h3H,2H2,1H3
InChIKeyAKGRVZBVOBKUAM-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Diethyl disulfide
CID 8077
Diethyl trisulfide
CID 77151
1,1-Ethanedithiol
CID 33645
Ethyl methyl disulfide
CID 123388
Ethyl methyl trisulfide
CID 525358
Propyl hydrodisulfide
CID 6428842
Ethanesulfenothioic acid
CID 94671
Tetrasulfide, ethyl methyl
CID 155894
CH3CH2S
CID 519011
Thioethoxide
CID 12688643
Ethylthiosulfinate
CID 20578574
Trithiahexane
CID 21545423

Frequently Asked Questions

What is the IUPAC name of trisulfanylethane?
The IUPAC name of trisulfanylethane (CID 15773585) is trisulfanylethane.
What is the SMILES notation for trisulfanylethane?
The canonical SMILES for trisulfanylethane is CCSSS.
What is the InChIKey of trisulfanylethane?
The InChIKey is AKGRVZBVOBKUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S3/c1-2-4-5-3/h3H,2H2,1H3.
What are the key properties of trisulfanylethane?
trisulfanylethane has a molecular weight of 126.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisulfanylethane is sourced from PubChem (CID 15773585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).