4-ethynyl-2-sulfanylidenetrithiane 2-oxide

C5H6OS4 — CID 88889817

IUPAC4-ethynyl-2-sulfanylidenetrithiane 2-oxide
SMILESC#CC1CCSS(=O)(=S)S1
InChIInChI=1S/C5H6OS4/c1-2-5-3-4-8-10(6,7)9-5/h1,5H,3-4H2
InChIKeyPRDOOYKBSABKSD-UHFFFAOYSA-N
MW210.37 g/mol
LogP1.43
Rot. Bonds

About 4-ethynyl-2-sulfanylidenetrithiane 2-oxide

4-ethynyl-2-sulfanylidenetrithiane 2-oxide (PubChem CID 88889817) has the molecular formula C5H6OS4 and a molecular weight of 210.37 g/mol. Its IUPAC name is 4-ethynyl-2-sulfanylidenetrithiane 2-oxide.

Molecular Properties

Compound Name4-ethynyl-2-sulfanylidenetrithiane 2-oxide
PubChem CID88889817
Molecular FormulaC5H6OS4
Molecular Weight210.37 g/mol
Exact Mass209.93
IUPAC Name4-ethynyl-2-sulfanylidenetrithiane 2-oxide
SMILESC#CC1CCSS(=O)(=S)S1
InChIInChI=1S/C5H6OS4/c1-2-5-3-4-8-10(6,7)9-5/h1,5H,3-4H2
InChIKeyPRDOOYKBSABKSD-UHFFFAOYSA-N
XLogP1.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Ethynyl-2-sulfanylidenetrithiane
CID 88889735
4-Ethynyltrithiane 2-oxide
CID 88889797
5-Ethynyltrithiane 2-oxide
CID 88889916
3-Ethynyl-1,1-bis(sulfanylidene)dithiane
CID 89445882
4-Ethynyl-2,2-bis(sulfanylidene)trithiane
CID 89445885
5-Ethynyl-2-sulfanylidenetrithiane
CID 89446924

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-sulfanylidenetrithiane 2-oxide?
The IUPAC name of 4-ethynyl-2-sulfanylidenetrithiane 2-oxide (CID 88889817) is 4-ethynyl-2-sulfanylidenetrithiane 2-oxide.
What is the SMILES notation for 4-ethynyl-2-sulfanylidenetrithiane 2-oxide?
The canonical SMILES for 4-ethynyl-2-sulfanylidenetrithiane 2-oxide is C#CC1CCSS(=O)(=S)S1.
What is the InChIKey of 4-ethynyl-2-sulfanylidenetrithiane 2-oxide?
The InChIKey is PRDOOYKBSABKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS4/c1-2-5-3-4-8-10(6,7)9-5/h1,5H,3-4H2.
What are the key properties of 4-ethynyl-2-sulfanylidenetrithiane 2-oxide?
4-ethynyl-2-sulfanylidenetrithiane 2-oxide has a molecular weight of 210.37 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-sulfanylidenetrithiane 2-oxide is sourced from PubChem (CID 88889817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).