2-tert-butylsulfanylethylazanium chloride

C6H16ClNS — CID 3017172

IUPAC2-tert-butylsulfanylethylazanium chloride
SMILESCC(C)(C)SCC[NH3+].[Cl-]
InChIInChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H
InChIKeyYJAKJFWAOKKUJK-UHFFFAOYSA-N
MW169.72 g/mol
LogP-2.24
Rot. Bonds2

About 2-tert-butylsulfanylethylazanium chloride

2-tert-butylsulfanylethylazanium chloride (PubChem CID 3017172) has the molecular formula C6H16ClNS and a molecular weight of 169.72 g/mol. Its IUPAC name is 2-tert-butylsulfanylethylazanium chloride.

Molecular Properties

Compound Name2-tert-butylsulfanylethylazanium chloride
PubChem CID3017172
Molecular FormulaC6H16ClNS
Molecular Weight169.72 g/mol
Exact Mass169.07
IUPAC Name2-tert-butylsulfanylethylazanium chloride
SMILESCC(C)(C)SCC[NH3+].[Cl-]
InChIInChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H
InChIKeyYJAKJFWAOKKUJK-UHFFFAOYSA-N
XLogP-2.24
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.72
LogP ≤ 5-2.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Propylamine, 3-(methylthio)-, hydrochloride
CID 200644
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2-(Methylsulfanyl)propan-1-amine
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2-(Ethylthio)ethylamine hydrochloride
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2-(tert-Butylthio)ethanamine
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2-(tert-Butylthio)ethylammonium chloride
CID 2776973
3-(Ethylsulfanyl)propan-1-amine
CID 21485330
3-(Ethylsulfanyl)-2,2-dimethylpropan-1-aminehydrochloride
CID 165890390
[2-(Butylthio)ethyl]amine hydrochloride
CID 17221239
3-Aminopropyl-dimethylsulfonium chloride
CID 12900277
2-(Tert-butyldisulfanyl)ethylazanium chloride
CID 134882504
Ethanamine, 2-(butylthio)-
CID 304044

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanylethylazanium chloride?
The IUPAC name of 2-tert-butylsulfanylethylazanium chloride (CID 3017172) is 2-tert-butylsulfanylethylazanium chloride.
What is the SMILES notation for 2-tert-butylsulfanylethylazanium chloride?
The canonical SMILES for 2-tert-butylsulfanylethylazanium chloride is CC(C)(C)SCC[NH3+].[Cl-].
What is the InChIKey of 2-tert-butylsulfanylethylazanium chloride?
The InChIKey is YJAKJFWAOKKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H.
What are the key properties of 2-tert-butylsulfanylethylazanium chloride?
2-tert-butylsulfanylethylazanium chloride has a molecular weight of 169.72 g/mol, XLogP of -2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanylethylazanium chloride is sourced from PubChem (CID 3017172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).