Basic information
- CAS
19198-68-6- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1- InChIKey
VIWASEZLLDVYMD-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2S2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.03401998
Names & identifiers
- Preferred name
- N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
- IUPAC
- N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
- English name
- N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
- Molecular formula
- C14H12N2O2S2
- Molecular weight
- 304.39
Names & synonyms
N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide19198-68-6N-(1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamideN-(benzo[d]thiazol-2-yl)-4-methylbenzenesulfonamideNSC718595Oprea1_345368Oprea1_540299MLS000530194CHEMBL196605SCHEMBL3871859SCHEMBL3871862SCHEMBL19771115
Show more names
N-BENZOTHIAZOL-2-YL-4-METHYL-BENZENESULFONAMIDEBenzenesulfonamide, N-2-benzothiazolyl-4-methyl-
VIWASEZLLDVYMD-UHFFFAOYSA-NHMS2351G032-(p-tolylsulfonylamino)benzothiazoleSTK026644AKOS001266313NSC-718595UPCMLD0ENAT5603847:001SMR000135171
Database identifiers
- CAS
19198-68-6- PubChem CID
- 403571
- ChEMBL
CHEMBL196605- EC Number
- 148-512-4
- Nikkaji
- J2.831.279B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 246 · 246-249 °C
- Boiling point
- 481 · 481.0±38.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- pka
- 7.1 · 7.10±0.30(Predicted)
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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