triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium

C15H26NS2+ — CID 174730774

IUPACtriethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
SMILESCC[N+](CC)(CC)SSc1cccc(C(C)C)c1
InChIInChI=1S/C15H26NS2/c1-6-16(7-2,8-3)18-17-15-11-9-10-14(12-15)13(4)5/h9-13H,6-8H2,1-5H3/q+1
InChIKeyOHKJWZJSQWZVGP-UHFFFAOYSA-N
MW284.51 g/mol
LogP5.34
Rot. Bonds7

About triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium

triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium (PubChem CID 174730774) has the molecular formula C15H26NS2+ and a molecular weight of 284.51 g/mol. Its IUPAC name is triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium.

Molecular Properties

Compound Nametriethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
PubChem CID174730774
Molecular FormulaC15H26NS2+
Molecular Weight284.51 g/mol
Exact Mass284.15
IUPAC Nametriethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
SMILESCC[N+](CC)(CC)SSc1cccc(C(C)C)c1
InChIInChI=1S/C15H26NS2/c1-6-16(7-2,8-3)18-17-15-11-9-10-14(12-15)13(4)5/h9-13H,6-8H2,1-5H3/q+1
InChIKeyOHKJWZJSQWZVGP-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.51
LogP ≤ 55.34
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'}

Analyze triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethyl-(phenyldisulfanyl)azanium
CID 174730992
ethane;1-fluoro-3-propan-2-ylbenzene;1-methylsulfanyl-3-propan-2-ylbenzene
CID 155735677
N-(methylsulfanylmethyl)-3-propan-2-ylaniline
CID 139386106
[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten
CID 177108073
ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane
CID 142264931
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
2-(3-propan-2-ylanilino)ethanol
CID 28973580
3-ethylsulfanyl-N-propan-2-ylaniline
CID 115885090
butyl-bis(3-propan-2-ylphenyl)borane
CID 67927512
1-(methylsulfanylmethyl)-3-propan-2-ylbenzene
CID 91388847
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium?
The IUPAC name of triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium (CID 174730774) is triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium.
What is the SMILES notation for triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium?
The canonical SMILES for triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium is CC[N+](CC)(CC)SSc1cccc(C(C)C)c1.
What is the InChIKey of triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium?
The InChIKey is OHKJWZJSQWZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NS2/c1-6-16(7-2,8-3)18-17-15-11-9-10-14(12-15)13(4)5/h9-13H,6-8H2,1-5H3/q+1.
What are the key properties of triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium?
triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium has a molecular weight of 284.51 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium is sourced from PubChem (CID 174730774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).