Basic information
- CAS
131-69-1- Standard SMILES
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1- InChIKey
SNWQKAWITMVCQW-UHFFFAOYSA-N- Molecular formula
- C16H14N2O6S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.05725734
Overview
Phthalylsulfacetamide is a member of benzamides.
Names & identifiers
- Preferred name
- Phthalylsulfacetamide
- IUPAC
- 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
- English name
- Phthalylsulfacetamide
- Molecular formula
- C16H14N2O6S
- Molecular weight
- 362.36
Names & synonyms
PHTHALYLSULFACETAMIDE131-69-1TamidEnterosulfamidEnterosulfonTalicetimidaEnterocidThalocidFtalicetimidaSterathalSulphalylTalsigel
Show more names
TSC-80Thalajen
TalsutinThalamydThalisulRabalanTalecidPhthalylsulphacetamideEnterosulphamidKalacet
Database identifiers
- CAS
131-69-1- PubChem CID
- 8574
- DTXSID
DTXSID9059620- ChEMBL
CHEMBL2106951- ChEBI
CHEBI:135528- UNII
- 24PUW23GRX
- EC Number
- 205-035-7
- Nikkaji
- J5.565D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 619
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 196 ° · 196°
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 50 mg/mL · DMSO : ≥ 50 mg/mL (137.98 mM)
- form
- Solid
- color
- White to off-white
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- 1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)
- InChIKey
- SNWQKAWITMVCQW-UHFFFAOYSA-N
- SMILES
- CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1
- FDA UNII
- 24 PUW23GRX · 24PUW23GRX
- EPA Substance Registry System
- 2 · Benzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]- (131-69-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]-
Other Safety InformationIMAP assessments - Benzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3249
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]-: INACTIVE
Applications
Usesantibacterial
Suppliers39 total
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
ChemeGen 中国
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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