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

C6H11N2NaOS3 — CID 176894146

IUPACsodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(N1C=NCC1)S([O-])(=S)=S.[Na+]
InChIInChI=1S/C6H12N2OS3.Na/c1-2-6(12(9,10)11)8-4-3-7-5-8;/h5-6H,2-4H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyVWTMTCQMGCRYFO-UHFFFAOYSA-M
MW246.36 g/mol
LogP-2.72
Rot. Bonds3

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

sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane (PubChem CID 176894146) has the molecular formula C6H11N2NaOS3 and a molecular weight of 246.36 g/mol. Its IUPAC name is sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Namesodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane
PubChem CID176894146
Molecular FormulaC6H11N2NaOS3
Molecular Weight246.36 g/mol
Exact Mass245.99
IUPAC Namesodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(N1C=NCC1)S([O-])(=S)=S.[Na+]
InChIInChI=1S/C6H12N2OS3.Na/c1-2-6(12(9,10)11)8-4-3-7-5-8;/h5-6H,2-4H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyVWTMTCQMGCRYFO-UHFFFAOYSA-M
XLogP-2.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 5-2.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 88190838
3-(4,5-Dihydroimidazol-1-yl)propylsulfanium
CID 144237071
1-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 173272070
CID 176271375
CID 176271375
CID 176271543
CID 176271543
Sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-lambda6-sulfane
CID 176894152
1-(4,5-Dihydroimidazol-1-yl)propyl-hydroxy-bis(sulfanylidene)-lambda6-sulfane
CID 176894147
1-(4,5-Dihydroimidazol-1-yl)butyl-hydroxy-bis(sulfanylidene)-lambda6-sulfane
CID 176894153

Frequently Asked Questions

What is the IUPAC name of sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane (CID 176894146) is sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane is CCC(N1C=NCC1)S([O-])(=S)=S.[Na+].
What is the InChIKey of sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is VWTMTCQMGCRYFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2OS3.Na/c1-2-6(12(9,10)11)8-4-3-7-5-8;/h5-6H,2-4H2,1H3,(H,9,10,11);/q;+1/p-1.
What are the key properties of sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane?
sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 246.36 g/mol, XLogP of -2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-(4,5-dihydroimidazol-1-yl)propyl-oxido-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 176894146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).