3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine

C8H9NS3 — CID 89441906

IUPAC3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine
SMILESC#CC1CS(=S)(=S)N(C)C1C#C
InChIInChI=1S/C8H9NS3/c1-4-7-6-12(10,11)9(3)8(7)5-2/h1-2,7-8H,6H2,3H3
InChIKeyCGXHPYKPQIHSBC-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.18
Rot. Bonds

About 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine

3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine (PubChem CID 89441906) has the molecular formula C8H9NS3 and a molecular weight of 215.37 g/mol. Its IUPAC name is 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine.

Molecular Properties

Compound Name3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine
PubChem CID89441906
Molecular FormulaC8H9NS3
Molecular Weight215.37 g/mol
Exact Mass214.99
IUPAC Name3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine
SMILESC#CC1CS(=S)(=S)N(C)C1C#C
InChIInChI=1S/C8H9NS3/c1-4-7-6-12(10,11)9(3)8(7)5-2/h1-2,7-8H,6H2,3H3
InChIKeyCGXHPYKPQIHSBC-UHFFFAOYSA-N
XLogP0.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine?
The IUPAC name of 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine (CID 89441906) is 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine.
What is the SMILES notation for 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine?
The canonical SMILES for 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine is C#CC1CS(=S)(=S)N(C)C1C#C.
What is the InChIKey of 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine?
The InChIKey is CGXHPYKPQIHSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS3/c1-4-7-6-12(10,11)9(3)8(7)5-2/h1-2,7-8H,6H2,3H3.
What are the key properties of 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine?
3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine has a molecular weight of 215.37 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine is sourced from PubChem (CID 89441906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).