dimethylamino-methylsulfanyl-diphenylphosphanium

C15H19NPS+ — CID 23418186

IUPACdimethylamino-methylsulfanyl-diphenylphosphanium
SMILESCS[P+](c1ccccc1)(c1ccccc1)N(C)C
InChIInChI=1S/C15H19NPS/c1-16(2)17(18-3,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3/q+1
InChIKeyUBAPVUWBVKTVMN-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.41
Rot. Bonds4

About dimethylamino-methylsulfanyl-diphenylphosphanium

dimethylamino-methylsulfanyl-diphenylphosphanium (PubChem CID 23418186) has the molecular formula C15H19NPS+ and a molecular weight of 276.37 g/mol. Its IUPAC name is dimethylamino-methylsulfanyl-diphenylphosphanium.

Molecular Properties

Compound Namedimethylamino-methylsulfanyl-diphenylphosphanium
PubChem CID23418186
Molecular FormulaC15H19NPS+
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Namedimethylamino-methylsulfanyl-diphenylphosphanium
SMILESCS[P+](c1ccccc1)(c1ccccc1)N(C)C
InChIInChI=1S/C15H19NPS/c1-16(2)17(18-3,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3/q+1
InChIKeyUBAPVUWBVKTVMN-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethylamino)-diphenylphosphanium
CID 23415226
dimethylamino-dimethyl-phenylphosphanium
CID 23415277
bis(methylsulfanyl)methyl-triphenylphosphanium
CID 3580662
(N-methylanilino)-triphenylphosphanium
CID 2828348
[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 11079101
platinum;tetrakis(triphenyl(phosphanyl)phosphanium)
CID 173227828
tris(dimethylamino)-(2-triphenylphosphaniumyldiphosphiran-1-yl)phosphanium
CID 16699979
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277
[4-hydroxy-3,5-bis(methylsulfanyl)phenyl]-diphenyl-phosphanylphosphanium
CID 153369947
benzyl-bis(dimethylamino)-phenylphosphanium tetrafluoroborate
CID 56841389
ethyl-(2-methylsulfanylphenyl)-diphenylphosphanium bromide
CID 88831412
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163

Frequently Asked Questions

What is the IUPAC name of dimethylamino-methylsulfanyl-diphenylphosphanium?
The IUPAC name of dimethylamino-methylsulfanyl-diphenylphosphanium (CID 23418186) is dimethylamino-methylsulfanyl-diphenylphosphanium.
What is the SMILES notation for dimethylamino-methylsulfanyl-diphenylphosphanium?
The canonical SMILES for dimethylamino-methylsulfanyl-diphenylphosphanium is CS[P+](c1ccccc1)(c1ccccc1)N(C)C.
What is the InChIKey of dimethylamino-methylsulfanyl-diphenylphosphanium?
The InChIKey is UBAPVUWBVKTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NPS/c1-16(2)17(18-3,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3/q+1.
What are the key properties of dimethylamino-methylsulfanyl-diphenylphosphanium?
dimethylamino-methylsulfanyl-diphenylphosphanium has a molecular weight of 276.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-methylsulfanyl-diphenylphosphanium is sourced from PubChem (CID 23418186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).