4-Sulfamoylbenzimidamide
Basic information
- CAS
54951-45-0- Standard SMILES
N=C(N)c1ccc(S(N)(=O)=O)cc1- InChIKey
IPNCNKQHACLMOV-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.04154771
Names & identifiers
- Preferred name
- 4-Sulfamoylbenzimidamide
- IUPAC
- 4-sulfamoylbenzenecarboximidamide
- English name
- Benzenecarboximidamide, 4-(aminosulfonyl)- (9CI)
- Molecular formula
- C7H9N3O2S
- Molecular weight
- 199.23
Names & synonyms
4-sulfamoylbenzimidamide54951-45-04-Sulfamoyl-benzamidine4-sulfamoylbenzenecarboximidamide4-sulfamoylbenzamidineSCHEMBL4718975SCHEMBL4718976DTXSID603285504-Sulfamoylbenzene-1-carboximidamideMFCD17011762AKOS015950867BS-42580
Show more names
NSC 35599p-Sulfonamidobenzamidine4-(Aminosulfonyl)benzenecarboximidamideBenzenecarboximidamide, 4-(aminosulfonyl)-Benzenecarboximidamide, 4-(aminosulfonyl)- (9CI)
DB-031141
Database identifiers
- CAS
54951-45-0- PubChem CID
- 411700
- DTXSID
DTXSID60328550
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 235 · 235-240℃
- Boiling point
- 398.4 · 398.4±52.0 °C(Predicted)
- Density
- 1.56 · 1.56
- pka
- 9.47 · 9.47±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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