1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium

C4H11N2PS — CID 101443598

IUPAC1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium
SMILESCN1CCN[P+]1(C)[S-]
InChIInChI=1S/C4H11N2PS/c1-6-4-3-5-7(6,2)8/h3-4H2,1-2H3,(H,5,8)
InChIKeyRVZHWLFBYHTHGM-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.46
Rot. Bonds

About 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium

1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium (PubChem CID 101443598) has the molecular formula C4H11N2PS and a molecular weight of 150.19 g/mol. Its IUPAC name is 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium.

Molecular Properties

Compound Name1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium
PubChem CID101443598
Molecular FormulaC4H11N2PS
Molecular Weight150.19 g/mol
Exact Mass150.04
IUPAC Name1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium
SMILESCN1CCN[P+]1(C)[S-]
InChIInChI=1S/C4H11N2PS/c1-6-4-3-5-7(6,2)8/h3-4H2,1-2H3,(H,5,8)
InChIKeyRVZHWLFBYHTHGM-UHFFFAOYSA-N
XLogP0.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium with MolForge

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

Launch Full Analysis

Related Compounds

1,2-Dimethyl-1,3,2-diazaphospholidine
CID 132137032
1,2,5-Trimethyl-1,3,2-diazaphospholidine
CID 132137041
1-Methyl-1,3,2-diazaphospholidine
CID 141315249
1,2,2-Trimethyl-1,3,2-diazaphospholidin-2-ium
CID 155015179
2-Hydroxy-1,2-dimethyl-1,3,2-diazaphospholidin-2-ium
CID 173468772
2-Methyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidine
CID 85702066
1,3-Dimethyl-1,3,2-diazaphospholidin-1-ium
CID 101948098

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium?
The IUPAC name of 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium (CID 101443598) is 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium.
What is the SMILES notation for 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium?
The canonical SMILES for 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium is CN1CCN[P+]1(C)[S-].
What is the InChIKey of 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium?
The InChIKey is RVZHWLFBYHTHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2PS/c1-6-4-3-5-7(6,2)8/h3-4H2,1-2H3,(H,5,8).
What are the key properties of 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium?
1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium has a molecular weight of 150.19 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-sulfido-1,3,2-diazaphospholidin-2-ium is sourced from PubChem (CID 101443598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).