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

1-(2-Aminobenzoyl) 4-methylthiosemicarbazide

HCID 17810764
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC(=S)NNC(=O)c1ccccc1N
InChIKey
SVDCIHIAUNPFKN-UHFFFAOYSA-N
Molecular formula
C9H12N4OS
Average molar mass
224.29 g/mol

Names & identifiers

Preferred name
1-(2-Aminobenzoyl) 4-methylthiosemicarbazide
IUPAC
1-[(2-aminobenzoyl)amino]-3-methylthiourea

Names & synonyms

SCHEMBL7724161SVDCIHIAUNPFKN-UHFFFAOYSA-N1-(2-aminobenzoyl) 4-methylthiosemicarbazide

Database identifiers

PubChem CID
17810764

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
111 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
246

Related reactions

2 records
New reaction record
HRID 828109 reaction equation
HRID 828109As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2229160 reaction equation
HRID 2229160As productuspto-grants-2002_07

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes