4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine

C8H10NPS2 — CID 89446541

IUPAC4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine
SMILESC#CC1SP(C)(=S)N(C)C1C#C
InChIInChI=1S/C8H10NPS2/c1-5-7-8(6-2)12-10(4,11)9(7)3/h1-2,7-8H,3-4H3
InChIKeyNWRBAHBXOOBXIY-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.61
Rot. Bonds

About 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine

4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine (PubChem CID 89446541) has the molecular formula C8H10NPS2 and a molecular weight of 215.28 g/mol. Its IUPAC name is 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine.

Molecular Properties

Compound Name4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine
PubChem CID89446541
Molecular FormulaC8H10NPS2
Molecular Weight215.28 g/mol
Exact Mass215.00
IUPAC Name4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine
SMILESC#CC1SP(C)(=S)N(C)C1C#C
InChIInChI=1S/C8H10NPS2/c1-5-7-8(6-2)12-10(4,11)9(7)3/h1-2,7-8H,3-4H3
InChIKeyNWRBAHBXOOBXIY-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine with MolForge

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Launch Full Analysis

Related Compounds

3-Ethynyl-2-methyl-1-sulfanylidene-1,2-thiazolidine
CID 88889601
5-Ethynyl-1-methyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-azaphospholidine
CID 88890140
5-ethynyl-N,N,3-trimethyl-2-sulfanylidene-1,3,2lambda5-thiazaphospholidin-2-amine
CID 88890146
Methyl-[methyl(4-sulfanylhexa-1,5-diyn-3-yl)amino]-sulfanylidenephosphanium
CID 89441980
4,5-Diethynyl-2,3-dimethyl-1,3,2lambda5-thiazaphospholidine 2-oxide
CID 89441986
3-Ethynyl-2-methyl-1,1-bis(sulfanylidene)-1,2-thiazolidine
CID 89445779
4-ethynyl-N,N,3-trimethyl-2-sulfanylidene-1,3,2lambda5-thiazaphospholidin-2-amine
CID 89445844
4,5-diethynyl-N,N,3-trimethyl-2-oxo-1,3,2lambda5-thiazaphospholidin-2-amine
CID 89446510
4,5-diethynyl-N,N,3-trimethyl-2-sulfanylidene-1,3,2lambda5-thiazaphospholidin-2-amine
CID 89446663

Frequently Asked Questions

What is the IUPAC name of 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine?
The IUPAC name of 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine (CID 89446541) is 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine.
What is the SMILES notation for 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine?
The canonical SMILES for 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine is C#CC1SP(C)(=S)N(C)C1C#C.
What is the InChIKey of 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine?
The InChIKey is NWRBAHBXOOBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NPS2/c1-5-7-8(6-2)12-10(4,11)9(7)3/h1-2,7-8H,3-4H3.
What are the key properties of 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine?
4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine has a molecular weight of 215.28 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethynyl-2,3-dimethyl-2-sulfanylidene-1,3,2λ5-thiazaphospholidine is sourced from PubChem (CID 89446541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).