carbonodithioic S,S-acid;(ethyldisulfanyl)ethane

C5H12OS4 — CID 175110136

IUPACcarbonodithioic S,S-acid;(ethyldisulfanyl)ethane
SMILESCCSSCC.O=C(S)S
InChIInChI=1S/C4H10S2.CH2OS2/c1-3-5-6-4-2;2-1(3)4/h3-4H2,1-2H3;(H2,2,3,4)
InChIKeyLVCSMLQWDWJBOV-UHFFFAOYSA-N
MW216.42 g/mol
LogP3.37
Rot. Bonds3

About carbonodithioic S,S-acid;(ethyldisulfanyl)ethane

carbonodithioic S,S-acid;(ethyldisulfanyl)ethane (PubChem CID 175110136) has the molecular formula C5H12OS4 and a molecular weight of 216.42 g/mol. Its IUPAC name is carbonodithioic S,S-acid;(ethyldisulfanyl)ethane.

Molecular Properties

Compound Namecarbonodithioic S,S-acid;(ethyldisulfanyl)ethane
PubChem CID175110136
Molecular FormulaC5H12OS4
Molecular Weight216.42 g/mol
Exact Mass215.98
IUPAC Namecarbonodithioic S,S-acid;(ethyldisulfanyl)ethane
SMILESCCSSCC.O=C(S)S
InChIInChI=1S/C4H10S2.CH2OS2/c1-3-5-6-4-2;2-1(3)4/h3-4H2,1-2H3;(H2,2,3,4)
InChIKeyLVCSMLQWDWJBOV-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;(ethyldisulfanyl)ethane
CID 159600030
(hydroxydisulfanyl)ethane;2-sulfanylacetic acid
CID 174804994
bis(ethylsulfanyl)carbamothioic S-acid
CID 20529645
(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
CID 87339090
(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
CID 159797170
propanethioic S-acid
CID 87087684
carbonodithioic S,S-acid;neodymium
CID 87149190
carbamic acid;disulfanylethane
CID 146590637
2-[(ethyldisulfanyl)amino]-3-sulfanylpropanoic acid
CID 87989318
1-[methyl(propanoyl)silyl]propan-1-one
CID 123469086
carbonodithioic S,S-acid;2-(propan-2-yldisulfanyl)propane
CID 174664994
sodium;bis(carbamothioic S-acid);hydride;propane
CID 173458343

Frequently Asked Questions

What is the IUPAC name of carbonodithioic S,S-acid;(ethyldisulfanyl)ethane?
The IUPAC name of carbonodithioic S,S-acid;(ethyldisulfanyl)ethane (CID 175110136) is carbonodithioic S,S-acid;(ethyldisulfanyl)ethane.
What is the SMILES notation for carbonodithioic S,S-acid;(ethyldisulfanyl)ethane?
The canonical SMILES for carbonodithioic S,S-acid;(ethyldisulfanyl)ethane is CCSSCC.O=C(S)S.
What is the InChIKey of carbonodithioic S,S-acid;(ethyldisulfanyl)ethane?
The InChIKey is LVCSMLQWDWJBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2.CH2OS2/c1-3-5-6-4-2;2-1(3)4/h3-4H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonodithioic S,S-acid;(ethyldisulfanyl)ethane?
carbonodithioic S,S-acid;(ethyldisulfanyl)ethane has a molecular weight of 216.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonodithioic S,S-acid;(ethyldisulfanyl)ethane is sourced from PubChem (CID 175110136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).