1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium

C7H16PS3+ — CID 10248946

IUPAC1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium
SMILESCS[P+](C)(C)C1SCCCS1
InChIInChI=1S/C7H16PS3/c1-8(2,9-3)7-10-5-4-6-11-7/h7H,4-6H2,1-3H3/q+1
InChIKeyGXNPPOUWGAJYGI-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.70
Rot. Bonds2

About 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium

1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium (PubChem CID 10248946) has the molecular formula C7H16PS3+ and a molecular weight of 227.38 g/mol. Its IUPAC name is 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium.

Molecular Properties

Compound Name1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium
PubChem CID10248946
Molecular FormulaC7H16PS3+
Molecular Weight227.38 g/mol
Exact Mass227.01
IUPAC Name1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium
SMILESCS[P+](C)(C)C1SCCCS1
InChIInChI=1S/C7H16PS3/c1-8(2,9-3)7-10-5-4-6-11-7/h7H,4-6H2,1-3H3/q+1
InChIKeyGXNPPOUWGAJYGI-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium
CID 10365525
2-(2-methylsulfanylpropyl)-1,3-dithiane
CID 91806567
2-tert-butyl-3-propan-2-yl-1,4-dithiepane
CID 170289624
2-(2-methylbutyl)-1,3-dithiane
CID 19349487
(1S)-1-(1,3-dithian-2-yl)-3-methylbutan-1-amine
CID 130731467
(3S)-3-(1,3-dithian-2-yl)butan-1-ol
CID 641992
bis(1,3-dithian-2-yl)methanol
CID 15195213
CID 57084553
CID 57084553
[(1S)-1-(1,3-dithian-2-yl)ethyl] acetate
CID 14290522
4-(1,3-dithian-2-yl)-3-methylpentan-1-ol
CID 577073
[2-(1,3-dithian-2-yl)-1-methoxyethoxy]-tri(propan-2-yl)silane
CID 11002625
(1S)-1-(thian-2-yl)ethanamine
CID 104932067

Frequently Asked Questions

What is the IUPAC name of 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium?
The IUPAC name of 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium (CID 10248946) is 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium.
What is the SMILES notation for 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium?
The canonical SMILES for 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium is CS[P+](C)(C)C1SCCCS1.
What is the InChIKey of 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium?
The InChIKey is GXNPPOUWGAJYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16PS3/c1-8(2,9-3)7-10-5-4-6-11-7/h7H,4-6H2,1-3H3/q+1.
What are the key properties of 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium?
1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium has a molecular weight of 227.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium is sourced from PubChem (CID 10248946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).