Bensuldazic Acid
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Basic information
- CAS
1219-77-8- Standard SMILES
O=C(O)CN1CSC(=S)N(Cc2ccccc2)C1- InChIKey
TUMWSYRTKGBCAG-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.04967004
Overview
Bensuldazic acid is a small molecule drug. Bensuldazic acid has a monoisotopic molecular weight of 282.05 Da.
Names & identifiers
- Preferred name
- Bensuldazic Acid
- IUPAC
- 2-(5-benzyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid
- English name
- BensuldazicAcid
- Molecular formula
- C12H14N2O2S2
- Molecular weight
- 282.38
Names & synonyms
Bensuldazic AcidUjothionAcido bensuldazicoAcide bensuldaziqueAcidum bensuldazicumBensuldazic acid [INN:BAN]Acide bensuldazique [INN-French]Acido bensuldazico [INN-Spanish]Acidum bensuldazicum [INN-Latin]UNII-R8L0T98P0JBRN 1082178R8L0T98P0J
Show more names
DefungitCompound 59BensuldazicAcid2-[5-(benzyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]acetic acid5-Benzyl-5,6-dihydro-6-thioxo-2H-1,3,5-thiadiazine-3(4H)-acetic acid2-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]acetic acid2-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]ethanoic acid2H-1,3,5-Thiadiazine-3(4H)-acetic acid, dihydro-5-(phenylmethyl)-6-thioxo-
D 47205-Benzyldihydro-6-thioxo-2H-1,3,5-thiadiazine-3(4H)-acetic acidBENSULDAZIC ACID [MI]BENSULDAZIC ACID [INN]BENSULDAZIC ACID [MART.]DTXSID101534355-Benzyl-6-thioxodihydro-2H-1,3,5-thiadiazine-3(4H)-acetic acid2H-1,3,5-Thiadiazine-3(4H)-acetic acid, dihydro-5-benzyl-6-thioxo-
Database identifiers
- CAS
1219-77-8- PubChem CID
- 71462
- DTXSID
DTXSID10153435- ChEMBL
CHEMBL2105578- UNII
- R8L0T98P0J
- Nikkaji
- J7.461F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 152 ° · 152°
- Boiling point
- 472.3 · 472.3±55.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.10(Predicted)
- FDA UNII
- 8 L0T98P0J · R8L0T98P0J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 400mg/kg
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
- Toxicity
- LD50 intraperitoneal in mouse: 400mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC CodeQD - Dermatologicals
Applications
UsesBensuldazic acid (compound 4f) is a lipophilic 3,5-disubstituted tetrahydro-2H-1,3,5-thiadiazine-2-thione (THTT) derivative that can be used as a prodrug model. Bensuldazic acid has antifungal activity[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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