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

C7H14N2OS3 — CID 176894153

IUPAC1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCCC(N1C=NCC1)S(O)(=S)=S
InChIInChI=1S/C7H14N2OS3/c1-2-3-7(13(10,11)12)9-5-4-8-6-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyDUUBWBIKAQFQRZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP1.01
Rot. Bonds4

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

1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (PubChem CID 176894153) has the molecular formula C7H14N2OS3 and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
PubChem CID176894153
Molecular FormulaC7H14N2OS3
Molecular Weight238.40 g/mol
Exact Mass238.03
IUPAC Name1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCCC(N1C=NCC1)S(O)(=S)=S
InChIInChI=1S/C7H14N2OS3/c1-2-3-7(13(10,11)12)9-5-4-8-6-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyDUUBWBIKAQFQRZ-UHFFFAOYSA-N
XLogP1.01
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 51.01
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)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (CID 176894153) is 1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is CCCC(N1C=NCC1)S(O)(=S)=S.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is DUUBWBIKAQFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS3/c1-2-3-7(13(10,11)12)9-5-4-8-6-9/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
1-(4,5-dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 238.40 g/mol, XLogP of 1.01, 4 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)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 176894153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).