1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane

C6H12N2OS3 — CID 176894147

IUPAC1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(N1C=NCC1)S(O)(=S)=S
InChIInChI=1S/C6H12N2OS3/c1-2-6(12(9,10)11)8-4-3-7-5-8/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyFZCJKSYOUULQCN-UHFFFAOYSA-N
MW224.38 g/mol
LogP0.62
Rot. Bonds3

About 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane

1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (PubChem CID 176894147) has the molecular formula C6H12N2OS3 and a molecular weight of 224.38 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
PubChem CID176894147
Molecular FormulaC6H12N2OS3
Molecular Weight224.38 g/mol
Exact Mass224.01
IUPAC Name1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(N1C=NCC1)S(O)(=S)=S
InChIInChI=1S/C6H12N2OS3/c1-2-6(12(9,10)11)8-4-3-7-5-8/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyFZCJKSYOUULQCN-UHFFFAOYSA-N
XLogP0.62
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (CID 176894147) is 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is CCC(N1C=NCC1)S(O)(=S)=S.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is FZCJKSYOUULQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS3/c1-2-6(12(9,10)11)8-4-3-7-5-8/h5-6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 224.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 176894147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).