triethyl-(phenyldisulfanyl)azanium

C12H20NS2+ — CID 174730992

IUPACtriethyl-(phenyldisulfanyl)azanium
SMILESCC[N+](CC)(CC)SSc1ccccc1
InChIInChI=1S/C12H20NS2/c1-4-13(5-2,6-3)15-14-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/q+1
InChIKeyXDVKXTKDLJVYOM-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.22
Rot. Bonds6

About triethyl-(phenyldisulfanyl)azanium

triethyl-(phenyldisulfanyl)azanium (PubChem CID 174730992) has the molecular formula C12H20NS2+ and a molecular weight of 242.43 g/mol. Its IUPAC name is triethyl-(phenyldisulfanyl)azanium.

Molecular Properties

Compound Nametriethyl-(phenyldisulfanyl)azanium
PubChem CID174730992
Molecular FormulaC12H20NS2+
Molecular Weight242.43 g/mol
Exact Mass242.10
IUPAC Nametriethyl-(phenyldisulfanyl)azanium
SMILESCC[N+](CC)(CC)SSc1ccccc1
InChIInChI=1S/C12H20NS2/c1-4-13(5-2,6-3)15-14-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/q+1
InChIKeyXDVKXTKDLJVYOM-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
CID 174730774
triethyl-[(2-fluorophenyl)disulfanyl]azanium
CID 174731021
triethyl(phenylsulfanyl)germane
CID 16698730
2-(2,2-diethoxyethyldisulfanyl)-1,1-diethoxyethane;bis((phenyldisulfanyl)benzene);hydrate
CID 174825274
dihexyl-(phenyldisulfanyl)phosphane
CID 141103524
ethylsulfanylbenzene;dihydrochloride
CID 18353835
ethanethiol;phenylsulfanylbenzene
CID 174826904
N-benzyl-N-(phenyldisulfanyl)ethanamine
CID 21441490
phenylsulfanyl N,N-diethylcarbamodithioate
CID 134989434
2,5,8,11,20-pentakis(phenyldisulfanyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 25191600
ethane;phenylsulfanylmethylsulfanylbenzene
CID 158144370
(2,4,4-trimethylpentan-2-yldisulfanyl)benzene
CID 140997209

Frequently Asked Questions

What is the IUPAC name of triethyl-(phenyldisulfanyl)azanium?
The IUPAC name of triethyl-(phenyldisulfanyl)azanium (CID 174730992) is triethyl-(phenyldisulfanyl)azanium.
What is the SMILES notation for triethyl-(phenyldisulfanyl)azanium?
The canonical SMILES for triethyl-(phenyldisulfanyl)azanium is CC[N+](CC)(CC)SSc1ccccc1.
What is the InChIKey of triethyl-(phenyldisulfanyl)azanium?
The InChIKey is XDVKXTKDLJVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NS2/c1-4-13(5-2,6-3)15-14-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/q+1.
What are the key properties of triethyl-(phenyldisulfanyl)azanium?
triethyl-(phenyldisulfanyl)azanium has a molecular weight of 242.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(phenyldisulfanyl)azanium is sourced from PubChem (CID 174730992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).