4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine

C7H13N2PS — CID 88889603

IUPAC4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine
SMILESC#CC1CN(C)P(C)(=S)N1C
InChIInChI=1S/C7H13N2PS/c1-5-7-6-8(2)10(4,11)9(7)3/h1,7H,6H2,2-4H3
InChIKeyUVSBLTKTMGUFOL-UHFFFAOYSA-N
MW188.24 g/mol
LogP0.80
Rot. Bonds

About 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine

4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine (PubChem CID 88889603) has the molecular formula C7H13N2PS and a molecular weight of 188.24 g/mol. Its IUPAC name is 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine.

Molecular Properties

Compound Name4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine
PubChem CID88889603
Molecular FormulaC7H13N2PS
Molecular Weight188.24 g/mol
Exact Mass188.05
IUPAC Name4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine
SMILESC#CC1CN(C)P(C)(=S)N1C
InChIInChI=1S/C7H13N2PS/c1-5-7-6-8(2)10(4,11)9(7)3/h1,7H,6H2,2-4H3
InChIKeyUVSBLTKTMGUFOL-UHFFFAOYSA-N
XLogP0.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine?
The IUPAC name of 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine (CID 88889603) is 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine.
What is the SMILES notation for 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine?
The canonical SMILES for 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine is C#CC1CN(C)P(C)(=S)N1C.
What is the InChIKey of 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine?
The InChIKey is UVSBLTKTMGUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2PS/c1-5-7-6-8(2)10(4,11)9(7)3/h1,7H,6H2,2-4H3.
What are the key properties of 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine?
4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine has a molecular weight of 188.24 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2λ5-diazaphospholidine is sourced from PubChem (CID 88889603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).