O-ethyl pentasulfanylmethanethioate

C3H6OS6 — CID 175415469

IUPACO-ethyl pentasulfanylmethanethioate
SMILESCCOC(=S)SSSSS
InChIInChI=1S/C3H6OS6/c1-2-4-3(5)7-9-10-8-6/h6H,2H2,1H3
InChIKeyUAVSIMUVNLFUBD-UHFFFAOYSA-N
MW250.48 g/mol
LogP3.83
Rot. Bonds4

About O-ethyl pentasulfanylmethanethioate

O-ethyl pentasulfanylmethanethioate (PubChem CID 175415469) has the molecular formula C3H6OS6 and a molecular weight of 250.48 g/mol. Its IUPAC name is O-ethyl pentasulfanylmethanethioate.

Molecular Properties

Compound NameO-ethyl pentasulfanylmethanethioate
PubChem CID175415469
Molecular FormulaC3H6OS6
Molecular Weight250.48 g/mol
Exact Mass249.87
IUPAC NameO-ethyl pentasulfanylmethanethioate
SMILESCCOC(=S)SSSSS
InChIInChI=1S/C3H6OS6/c1-2-4-3(5)7-9-10-8-6/h6H,2H2,1H3
InChIKeyUAVSIMUVNLFUBD-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

O-ethyl [(ethoxycarbothioyldisulfanyl)methyldisulfanyl]methanethioate
CID 54172879
O-ethyl N-(heptasulfanyl)carbamothioate
CID 175439680
CID 174427975
CID 174427975
O-ethyl [2-[2-(ethoxycarbothioyldisulfanyl)ethylsulfanyl]ethyldisulfanyl]methanethioate
CID 88840137
(sulfodisulfanyl)carbothioyloxyethane
CID 101073941
CID 162340121
CID 162340121
O-ethyl [4-[4-(ethoxycarbothioyldisulfanyl)butoxy]butyldisulfanyl]methanethioate
CID 88839002
ethoxymethanedithioic acid
CID 8823
ethoxymethanedithioic acid;nickel
CID 54611890
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
CID 131880811
CID 131880811
bis(ethoxymethanedithioic acid);sulfane
CID 88801631

Frequently Asked Questions

What is the IUPAC name of O-ethyl pentasulfanylmethanethioate?
The IUPAC name of O-ethyl pentasulfanylmethanethioate (CID 175415469) is O-ethyl pentasulfanylmethanethioate.
What is the SMILES notation for O-ethyl pentasulfanylmethanethioate?
The canonical SMILES for O-ethyl pentasulfanylmethanethioate is CCOC(=S)SSSSS.
What is the InChIKey of O-ethyl pentasulfanylmethanethioate?
The InChIKey is UAVSIMUVNLFUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS6/c1-2-4-3(5)7-9-10-8-6/h6H,2H2,1H3.
What are the key properties of O-ethyl pentasulfanylmethanethioate?
O-ethyl pentasulfanylmethanethioate has a molecular weight of 250.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl pentasulfanylmethanethioate is sourced from PubChem (CID 175415469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).