4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline

C12H22N3PS — CID 2307374

IUPAC4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(=S)(N(C)C)N(C)C)cc1
InChIInChI=1S/C12H22N3PS/c1-13(2)11-7-9-12(10-8-11)16(17,14(3)4)15(5)6/h7-10H,1-6H3
InChIKeyROBXJYUGRBIHRB-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.81
Rot. Bonds4

About 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline

4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline (PubChem CID 2307374) has the molecular formula C12H22N3PS and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline
PubChem CID2307374
Molecular FormulaC12H22N3PS
Molecular Weight271.37 g/mol
Exact Mass271.13
IUPAC Name4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(P(=S)(N(C)C)N(C)C)cc1
InChIInChI=1S/C12H22N3PS/c1-13(2)11-7-9-12(10-8-11)16(17,14(3)4)15(5)6/h7-10H,1-6H3
InChIKeyROBXJYUGRBIHRB-UHFFFAOYSA-N
XLogP1.81
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline?
The IUPAC name of 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline (CID 2307374) is 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline is CN(C)c1ccc(P(=S)(N(C)C)N(C)C)cc1.
What is the InChIKey of 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline?
The InChIKey is ROBXJYUGRBIHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N3PS/c1-13(2)11-7-9-12(10-8-11)16(17,14(3)4)15(5)6/h7-10H,1-6H3.
What are the key properties of 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline?
4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline has a molecular weight of 271.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(dimethylamino)phosphinothioyl]-N,N-dimethylaniline is sourced from PubChem (CID 2307374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).