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

C7H13N2NaOS3 — CID 176894152

IUPACsodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane
SMILESCCCC(N1C=NCC1)S([O-])(=S)=S.[Na+]
InChIInChI=1S/C7H14N2OS3.Na/c1-2-3-7(13(10,11)12)9-5-4-8-6-9;/h6-7H,2-5H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyMWVKYPYZLMMBGW-UHFFFAOYSA-M
MW260.38 g/mol
LogP-2.33
Rot. Bonds4

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

sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane (PubChem CID 176894152) has the molecular formula C7H13N2NaOS3 and a molecular weight of 260.38 g/mol. Its IUPAC name is sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Namesodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane
PubChem CID176894152
Molecular FormulaC7H13N2NaOS3
Molecular Weight260.38 g/mol
Exact Mass260.01
IUPAC Namesodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane
SMILESCCCC(N1C=NCC1)S([O-])(=S)=S.[Na+]
InChIInChI=1S/C7H14N2OS3.Na/c1-2-3-7(13(10,11)12)9-5-4-8-6-9;/h6-7H,2-5H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyMWVKYPYZLMMBGW-UHFFFAOYSA-M
XLogP-2.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane (CID 176894152) is sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane is CCCC(N1C=NCC1)S([O-])(=S)=S.[Na+].
What is the InChIKey of sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is MWVKYPYZLMMBGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N2OS3.Na/c1-2-3-7(13(10,11)12)9-5-4-8-6-9;/h6-7H,2-5H2,1H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane?
sodium 1-(4,5-dihydroimidazol-1-yl)butyl-oxido-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 260.38 g/mol, XLogP of -2.33, 4 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)butyl-oxido-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 176894152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).