2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide

C5H13Br2N3S — CID 20914

IUPAC2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide
SMILES[Br-].[Br-].[NH3+]CCSC1=NCC[NH2+]1
InChIInChI=1S/C5H11N3S.2BrH/c6-1-4-9-5-7-2-3-8-5;;/h1-4,6H2,(H,7,8);2*1H
InChIKeyFJHHFAMLIUZDQF-UHFFFAOYSA-N
MW307.06 g/mol
LogP-8.10
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide

2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide (PubChem CID 20914) has the molecular formula C5H13Br2N3S and a molecular weight of 307.06 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide
PubChem CID20914
Molecular FormulaC5H13Br2N3S
Molecular Weight307.06 g/mol
Exact Mass304.92
IUPAC Name2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide
SMILES[Br-].[Br-].[NH3+]CCSC1=NCC[NH2+]1
InChIInChI=1S/C5H11N3S.2BrH/c6-1-4-9-5-7-2-3-8-5;;/h1-4,6H2,(H,7,8);2*1H
InChIKeyFJHHFAMLIUZDQF-UHFFFAOYSA-N
XLogP-8.10
TPSA56.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.06
LogP ≤ 5-8.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylthio-2-imidazoline hydroiodide
CID 88369
Ammonium, (2-((4,5-dihydro-1H-imidazol-2-yl)thio)ethyl)triethyl)-, bromide, monohydrobromide
CID 36842
N-Ethyl-1,3-thiazolidin-2-imine
CID 202955
2-(Ethylthio)-4,5-dihydro-1H-imidazole
CID 81756
2-Imidazoline, 2-(3-aminopropylthio)-, dihydrobromide
CID 20916
2-Imidazoline, 2-((2-(dimethylamino)ethyl)thio)-, dihydrobromide
CID 21734
2-Imidazoline, 2-(3-trimethylaminopropylthio)-, dihydrobromide
CID 22744
Ammonium, (2-(2-imidazolin-2-ylthio)ethyl)trimethyl-, bromide, monohydrobromide
CID 28900
Pseudourea, 2-(2-aminoethyl)-1,3-diethyl-2-thio-, dihydrobromide
CID 74140
Pseudourea, 2-(2-aminoethyl)-1,3-dimethyl-2-thio-, dihydrobromide
CID 204960
1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
CID 216948
1,3-Propanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
CID 216950

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide (CID 20914) is 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide is [Br-].[Br-].[NH3+]CCSC1=NCC[NH2+]1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide?
The InChIKey is FJHHFAMLIUZDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S.2BrH/c6-1-4-9-5-7-2-3-8-5;;/h1-4,6H2,(H,7,8);2*1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide?
2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide has a molecular weight of 307.06 g/mol, XLogP of -8.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethylazanium dibromide is sourced from PubChem (CID 20914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).