(sulfodisulfanyl)carbothioyloxyethane

C3H6O4S4 — CID 101073941

IUPAC(sulfodisulfanyl)carbothioyloxyethane
SMILESCCOC(=S)SSS(=O)(=O)O
InChIInChI=1S/C3H6O4S4/c1-2-7-3(8)9-10-11(4,5)6/h2H2,1H3,(H,4,5,6)
InChIKeyHNYJDBLCQIZVPQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.49
Rot. Bonds3

About (sulfodisulfanyl)carbothioyloxyethane

(sulfodisulfanyl)carbothioyloxyethane (PubChem CID 101073941) has the molecular formula C3H6O4S4 and a molecular weight of 234.34 g/mol. Its IUPAC name is (sulfodisulfanyl)carbothioyloxyethane.

Molecular Properties

Compound Name(sulfodisulfanyl)carbothioyloxyethane
PubChem CID101073941
Molecular FormulaC3H6O4S4
Molecular Weight234.34 g/mol
Exact Mass233.91
IUPAC Name(sulfodisulfanyl)carbothioyloxyethane
SMILESCCOC(=S)SSS(=O)(=O)O
InChIInChI=1S/C3H6O4S4/c1-2-7-3(8)9-10-11(4,5)6/h2H2,1H3,(H,4,5,6)
InChIKeyHNYJDBLCQIZVPQ-UHFFFAOYSA-N
XLogP1.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-ethyl [(ethoxycarbothioyldisulfanyl)methyldisulfanyl]methanethioate
CID 54172879
ethoxycarbothioylsulfanylmethanesulfonate
CID 23517443
O-ethyl (3-methylsulfonyl-2-oxopropyl)sulfanylmethanethioate
CID 142750039
O-ethyl pentasulfanylmethanethioate
CID 175415469
O-ethyl [2-[2-(ethoxycarbothioyldisulfanyl)ethylsulfanyl]ethyldisulfanyl]methanethioate
CID 88840137
sodium;ethoxymethanedithioate;sulfuric acid
CID 174872749
1-ethoxy-1-oxo-2-sulfosulfanylethane
CID 13308351
CID 174427975
CID 174427975
O-ethyl [4-[4-(ethoxycarbothioyldisulfanyl)butoxy]butyldisulfanyl]methanethioate
CID 88839002
O-ethyl ethylsulfanylmethanethioate;propanoic acid
CID 175095142
2-ethoxycarbothioylsulfanylpropanoic acid
CID 23424291
lithium ethoxymethanedithioate
CID 23681493

Frequently Asked Questions

What is the IUPAC name of (sulfodisulfanyl)carbothioyloxyethane?
The IUPAC name of (sulfodisulfanyl)carbothioyloxyethane (CID 101073941) is (sulfodisulfanyl)carbothioyloxyethane.
What is the SMILES notation for (sulfodisulfanyl)carbothioyloxyethane?
The canonical SMILES for (sulfodisulfanyl)carbothioyloxyethane is CCOC(=S)SSS(=O)(=O)O.
What is the InChIKey of (sulfodisulfanyl)carbothioyloxyethane?
The InChIKey is HNYJDBLCQIZVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4S4/c1-2-7-3(8)9-10-11(4,5)6/h2H2,1H3,(H,4,5,6).
What are the key properties of (sulfodisulfanyl)carbothioyloxyethane?
(sulfodisulfanyl)carbothioyloxyethane has a molecular weight of 234.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfodisulfanyl)carbothioyloxyethane is sourced from PubChem (CID 101073941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).