HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Dibutyl(1,3-dithiol-2-ylidene)azanium

HCID 14127444
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC[N+](CCCC)=c1sccs1
InChIKey
PHAVUNNRDYWXBZ-UHFFFAOYSA-N
Molecular formula
C11H20NS2+
Average molar mass
230.4 g/mol
Monoisotopic mass
230.10371699

Names & identifiers

Preferred name
Dibutyl(1,3-dithiol-2-ylidene)azanium
IUPAC
dibutyl(1,3-dithiol-2-ylidene)azanium

Database identifiers

PubChem CID
14127444

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
53.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Formal charge
1
Complexity
201

Related reactions

1 records
New reaction record
HRID 175394 reaction equation
HRID 175394As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes