HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

Benzamide, 2-bromo-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-

HCID 4939746
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
875194-96-0
Standard SMILES
O=C(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1Br
InChIKey
HGMVFNVVKANQFB-UHFFFAOYSA-N
Molecular formula
C20H15BrN4OS
Average molar mass
439.3 g/mol
Monoisotopic mass
438.01499

Names & identifiers

Preferred name
Benzamide, 2-bromo-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
IUPAC
2-bromo-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide

Names & synonyms

DTXSID201038581AKOS003448982Benzamide, 2-bromo-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-875194-96-0

Database identifiers

CAS
875194-96-0
PubChem CID
4939746
DTXSID
DTXSID201038581

Properties

Computed structural properties

XLogP
6
Topological polar surface area
97.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
530

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes