carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium

C11H32N2S2 — CID 159807452

IUPACcarbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium
SMILESC[N+](C)(C)CCS.C[NH+](C)CCS.[CH3-].[CH3-]
InChIInChI=1S/C5H13NS.C4H11NS.2CH3/c1-6(2,3)4-5-7;1-5(2)3-4-6;;/h4-5H2,1-3H3;6H,3-4H2,1-2H3;2*1H3/q;;2*-1/p+2
InChIKeyNKOSYGKIWYPQAL-UHFFFAOYSA-P
MW256.52 g/mol
LogP0.58
Rot. Bonds4

About carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium

carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium (PubChem CID 159807452) has the molecular formula C11H32N2S2 and a molecular weight of 256.52 g/mol. Its IUPAC name is carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium.

Molecular Properties

Compound Namecarbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium
PubChem CID159807452
Molecular FormulaC11H32N2S2
Molecular Weight256.52 g/mol
Exact Mass256.20
IUPAC Namecarbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium
SMILESC[N+](C)(C)CCS.C[NH+](C)CCS.[CH3-].[CH3-]
InChIInChI=1S/C5H13NS.C4H11NS.2CH3/c1-6(2,3)4-5-7;1-5(2)3-4-6;;/h4-5H2,1-3H3;6H,3-4H2,1-2H3;2*1H3/q;;2*-1/p+2
InChIKeyNKOSYGKIWYPQAL-UHFFFAOYSA-P
XLogP0.58
TPSA4.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 28484
Ethanamine, 2,2'-dithiobis(N-methyl-
CID 145763
2-{[2-(Diethylamino)ethyl]amino}ethane-1-thiol
CID 15889018
Ethyl(2-{[2-(ethylamino)ethyl]disulfanyl}ethyl)amine
CID 15739298
2-[2-(Dimethylamino)ethylsulfanylamino]ethanethiol
CID 19844045
2-[2-[2-(2-Aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
CID 20813436
3-[3-(Dimethylazaniumyl)propyldisulfanyl]propyl-dimethylazanium
CID 57669041
2-[2-[Methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 58960455
2-[2-(Methylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol
CID 59641410
2-[2-[Ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 59912905
2-[2-(2-Aminoethylamino)ethyl-ethylamino]ethanethiol
CID 71470810
2-[2-(Dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium
CID 86308380

Frequently Asked Questions

What is the IUPAC name of carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium?
The IUPAC name of carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium (CID 159807452) is carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium.
What is the SMILES notation for carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium?
The canonical SMILES for carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium is C[N+](C)(C)CCS.C[NH+](C)CCS.[CH3-].[CH3-].
What is the InChIKey of carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium?
The InChIKey is NKOSYGKIWYPQAL-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H13NS.C4H11NS.2CH3/c1-6(2,3)4-5-7;1-5(2)3-4-6;;/h4-5H2,1-3H3;6H,3-4H2,1-2H3;2*1H3/q;;2*-1/p+2.
What are the key properties of carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium?
carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium has a molecular weight of 256.52 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethyl(2-sulfanylethyl)azanium;trimethyl(2-sulfanylethyl)azanium is sourced from PubChem (CID 159807452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).