5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine

C6H10NPS2 — CID 89441875

IUPAC5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine
SMILESC#CC1CCP(=S)(S)N1C
InChIInChI=1S/C6H10NPS2/c1-3-6-4-5-8(9,10)7(6)2/h1,6H,4-5H2,2H3,(H,9,10)
InChIKeyZFRNNUKLQAOPHM-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.56
Rot. Bonds

About 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine

5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine (PubChem CID 89441875) has the molecular formula C6H10NPS2 and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine.

Molecular Properties

Compound Name5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine
PubChem CID89441875
Molecular FormulaC6H10NPS2
Molecular Weight191.26 g/mol
Exact Mass191.00
IUPAC Name5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine
SMILESC#CC1CCP(=S)(S)N1C
InChIInChI=1S/C6H10NPS2/c1-3-6-4-5-8(9,10)7(6)2/h1,6H,4-5H2,2H3,(H,9,10)
InChIKeyZFRNNUKLQAOPHM-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine?
The IUPAC name of 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine (CID 89441875) is 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine.
What is the SMILES notation for 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine?
The canonical SMILES for 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine is C#CC1CCP(=S)(S)N1C.
What is the InChIKey of 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine?
The InChIKey is ZFRNNUKLQAOPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NPS2/c1-3-6-4-5-8(9,10)7(6)2/h1,6H,4-5H2,2H3,(H,9,10).
What are the key properties of 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine?
5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine has a molecular weight of 191.26 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-methyl-2-sulfanyl-2-sulfanylidene-1,2λ5-azaphospholidine is sourced from PubChem (CID 89441875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).