O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate

C6H10O2S4 — CID 10404

💊View drug profile → dixanthogen
IUPACO-ethyl (ethoxycarbothioyldisulfanyl)methanethioate
SMILESCCOC(=S)SSC(=S)OCC
InChIInChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3
InChIKeyFVIGODVHAVLZOO-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.01
Rot. Bonds2

About O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate

O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate (PubChem CID 10404) has the molecular formula C6H10O2S4 and a molecular weight of 242.41 g/mol. Its IUPAC name is O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate.

Molecular Properties

Compound NameO-ethyl (ethoxycarbothioyldisulfanyl)methanethioate
PubChem CID10404
Molecular FormulaC6H10O2S4
Molecular Weight242.41 g/mol
Exact Mass241.96
IUPAC NameO-ethyl (ethoxycarbothioyldisulfanyl)methanethioate
SMILESCCOC(=S)SSC(=S)OCC
InChIInChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3
InChIKeyFVIGODVHAVLZOO-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bisethylxanthate trisulfide
CID 15815
Diethyl thiodicarbonate
CID 76188
Bis(ethoxythiocarbonyl) tetrasulfide
CID 15814
Nickelous ethoxymethanedithioic acid
CID 22743864
Nickel(II) xanthate
CID 14574654
Dithiocarbonic acid o-ethyl ester, potassium salt dimer
CID 126957829
Platinum xanthate
CID 9845927
Copper ethyl xanthate
CID 13403244
O-propyl (propoxycarbothioyldisulfanyl)methanethioate
CID 13783380
ZINC ethylxanthate
CID 14598739
Lead ethyl xanthate
CID 14619584
ZINC propyl xanthate
CID 14619593

Frequently Asked Questions

What is the IUPAC name of O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate?
The IUPAC name of O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate (CID 10404) is O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate.
What is the SMILES notation for O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate?
The canonical SMILES for O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate is CCOC(=S)SSC(=S)OCC.
What is the InChIKey of O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate?
The InChIKey is FVIGODVHAVLZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3.
What are the key properties of O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate?
O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate has a molecular weight of 242.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate is sourced from PubChem (CID 10404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).