tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium

C22H35P2S2+ — CID 23418368

IUPACtributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)P(=S)(S)c1ccc2ccccc2c1
InChIInChI=1S/C22H34P2S2/c1-4-7-16-23(17-8-5-2,18-9-6-3)24(25,26)22-15-14-20-12-10-11-13-21(20)19-22/h10-15,19H,4-9,16-18H2,1-3H3/p+1
InChIKeyQLHJWVDMGMRHIP-UHFFFAOYSA-O
MW425.60 g/mol
LogP8.12
Rot. Bonds11

About tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium

tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium (PubChem CID 23418368) has the molecular formula C22H35P2S2+ and a molecular weight of 425.60 g/mol. Its IUPAC name is tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium.

Molecular Properties

Compound Nametributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium
PubChem CID23418368
Molecular FormulaC22H35P2S2+
Molecular Weight425.60 g/mol
Exact Mass425.16
IUPAC Nametributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)P(=S)(S)c1ccc2ccccc2c1
InChIInChI=1S/C22H34P2S2/c1-4-7-16-23(17-8-5-2,18-9-6-3)24(25,26)22-15-14-20-12-10-11-13-21(20)19-22/h10-15,19H,4-9,16-18H2,1-3H3/p+1
InChIKeyQLHJWVDMGMRHIP-UHFFFAOYSA-O
XLogP8.12
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium?
The IUPAC name of tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium (CID 23418368) is tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium.
What is the SMILES notation for tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium?
The canonical SMILES for tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium is CCCC[P+](CCCC)(CCCC)P(=S)(S)c1ccc2ccccc2c1.
What is the InChIKey of tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium?
The InChIKey is QLHJWVDMGMRHIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H34P2S2/c1-4-7-16-23(17-8-5-2,18-9-6-3)24(25,26)22-15-14-20-12-10-11-13-21(20)19-22/h10-15,19H,4-9,16-18H2,1-3H3/p+1.
What are the key properties of tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium?
tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium has a molecular weight of 425.60 g/mol, XLogP of 8.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[naphthalen-2-yl(sulfanyl)phosphinothioyl]phosphanium is sourced from PubChem (CID 23418368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).