4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione

C7H10OS4Se — CID 11034465

IUPAC4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione
SMILESCCSc1[se]c(=S)sc1SCCO
InChIInChI=1S/C7H10OS4Se/c1-2-10-6-5(11-4-3-8)12-7(9)13-6/h8H,2-4H2,1H3
InChIKeyLCWSNNFIEVFIRK-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.73
Rot. Bonds5

About 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione

4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione (PubChem CID 11034465) has the molecular formula C7H10OS4Se and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione.

Molecular Properties

Compound Name4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione
PubChem CID11034465
Molecular FormulaC7H10OS4Se
Molecular Weight317.38 g/mol
Exact Mass317.88
IUPAC Name4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione
SMILESCCSc1[se]c(=S)sc1SCCO
InChIInChI=1S/C7H10OS4Se/c1-2-10-6-5(11-4-3-8)12-7(9)13-6/h8H,2-4H2,1H3
InChIKeyLCWSNNFIEVFIRK-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione
CID 2325588
2-[[(2E)-4-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 10876086
4-Ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione
CID 10948488
4-(2-Hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione
CID 11010596
2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 11071882
4-(2-Hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione
CID 11833601

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione?
The IUPAC name of 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione (CID 11034465) is 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione.
What is the SMILES notation for 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione?
The canonical SMILES for 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione is CCSc1[se]c(=S)sc1SCCO.
What is the InChIKey of 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione?
The InChIKey is LCWSNNFIEVFIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS4Se/c1-2-10-6-5(11-4-3-8)12-7(9)13-6/h8H,2-4H2,1H3.
What are the key properties of 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione?
4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione has a molecular weight of 317.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione is sourced from PubChem (CID 11034465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).