Basic information
- CAS
3181-86-0- Standard SMILES
Cc1ccc2cc(-c3nc4ccc(C)c(S(=O)(=O)O)c4s3)ccc2n1- InChIKey
WXSWCUFLXDRACR-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3S2
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.04458466
Names & identifiers
- Preferred name
- 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-
- IUPAC
- 6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid
- English name
- 6-methyl-2-(2-methyl-6-quinolyl)benzothiazole-7-sulphonic acid
- Molecular formula
- C18H14N2O3S2
- Molecular weight
- 370.45
Names & synonyms
3181-86-07-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-EINECS 221-670-2DTXSID50628997-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolyl)-RefChem:545491DTXCID40384276-Methyl-2-(2-methylquinolin-6-yl)benzo[d]thiazole-7-sulfonic acid6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acidWXSWCUFLXDRACR-UHFFFAOYSA-N6-Methyl-2-(2-methyl-6-quinolyl)benzothiazole-7-sulphonic acidNS00029177
Show more names
6-Methyl-2-(2-methyl-6-quinolinyl)-7-benzothiazolesulfonic acid
Database identifiers
- CAS
3181-86-0- PubChem CID
- 76648
- DTXSID
DTXSID5062899
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- EPA Substance Registry System
- 7 · 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- (3181-86-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-: ACTIVE
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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