1H-imidazol-2-ylmethylsulfanylalumane

C4H7AlN2S — CID 154560306

IUPAC1H-imidazol-2-ylmethylsulfanylalumane
SMILES[AlH2]SCc1ncc[nH]1
InChIInChI=1S/C4H6N2S.Al.2H/c7-3-4-5-1-2-6-4;;;/h1-2,7H,3H2,(H,5,6);;;/q;+1;;/p-1
InChIKeyWDQFONXSTONVHV-UHFFFAOYSA-M
MW142.16 g/mol
LogP0.19
Rot. Bonds2

About 1H-imidazol-2-ylmethylsulfanylalumane

1H-imidazol-2-ylmethylsulfanylalumane (PubChem CID 154560306) has the molecular formula C4H7AlN2S and a molecular weight of 142.16 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethylsulfanylalumane.

Molecular Properties

Compound Name1H-imidazol-2-ylmethylsulfanylalumane
PubChem CID154560306
Molecular FormulaC4H7AlN2S
Molecular Weight142.16 g/mol
Exact Mass142.01
IUPAC Name1H-imidazol-2-ylmethylsulfanylalumane
SMILES[AlH2]SCc1ncc[nH]1
InChIInChI=1S/C4H6N2S.Al.2H/c7-3-4-5-1-2-6-4;;;/h1-2,7H,3H2,(H,5,6);;;/q;+1;;/p-1
InChIKeyWDQFONXSTONVHV-UHFFFAOYSA-M
XLogP0.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylsulfanylmethyl)-1H-imidazole
CID 126997669
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
ethane;2-ethyl-1H-imidazole
CID 144736598
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-(1H-imidazol-2-ylmethylsulfanyl)aniline
CID 130603993
2-ethyl-1H-imidazole;methanol
CID 176573862
2-(1H-imidazol-2-yl)ethanol
CID 15016080
1-(1H-imidazol-2-yl)-N-iodomethanamine
CID 139514112
2-(1H-imidazol-2-yl)ethanol;hydrobromide
CID 175547099

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethylsulfanylalumane?
The IUPAC name of 1H-imidazol-2-ylmethylsulfanylalumane (CID 154560306) is 1H-imidazol-2-ylmethylsulfanylalumane.
What is the SMILES notation for 1H-imidazol-2-ylmethylsulfanylalumane?
The canonical SMILES for 1H-imidazol-2-ylmethylsulfanylalumane is [AlH2]SCc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-ylmethylsulfanylalumane?
The InChIKey is WDQFONXSTONVHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2S.Al.2H/c7-3-4-5-1-2-6-4;;;/h1-2,7H,3H2,(H,5,6);;;/q;+1;;/p-1.
What are the key properties of 1H-imidazol-2-ylmethylsulfanylalumane?
1H-imidazol-2-ylmethylsulfanylalumane has a molecular weight of 142.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-ylmethylsulfanylalumane is sourced from PubChem (CID 154560306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).