diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride

C16H21ClP2S2 — CID 10761988

IUPACdiphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride
SMILESC[P+](C)(C)CSP(=S)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C16H21P2S2.ClH/c1-17(2,3)14-20-18(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13H,14H2,1-3H3;1H/q+1;/p-1
InChIKeyTVGBBNRQAFJNPM-UHFFFAOYSA-M
MW374.88 g/mol
LogP1.63
Rot. Bonds5

About diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride

diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride (PubChem CID 10761988) has the molecular formula C16H21ClP2S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride.

Molecular Properties

Compound Namediphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride
PubChem CID10761988
Molecular FormulaC16H21ClP2S2
Molecular Weight374.88 g/mol
Exact Mass374.02
IUPAC Namediphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride
SMILESC[P+](C)(C)CSP(=S)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C16H21P2S2.ClH/c1-17(2,3)14-20-18(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13H,14H2,1-3H3;1H/q+1;/p-1
InChIKeyTVGBBNRQAFJNPM-UHFFFAOYSA-M
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.63
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

3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 2321670
1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane
CID 176904849
hydroxy-(2-methylpentylsulfanyl)-phenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 70475446
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine
CID 135073200
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
bis(ethyl-imino-diphenyl-λ5-phosphane);dihydrochloride
CID 173375267
4-diphenylphosphinothioylpentan-2-one
CID 134862641
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301

Frequently Asked Questions

What is the IUPAC name of diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride?
The IUPAC name of diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride (CID 10761988) is diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride.
What is the SMILES notation for diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride?
The canonical SMILES for diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride is C[P+](C)(C)CSP(=S)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride?
The InChIKey is TVGBBNRQAFJNPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21P2S2.ClH/c1-17(2,3)14-20-18(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13H,14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride?
diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride has a molecular weight of 374.88 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride is sourced from PubChem (CID 10761988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).