2-Mercapto-benzothiazole-6-carboxylic acid
Basic information
- CAS
84092-99-9- Standard SMILES
O=C(O)c1ccc2[nH]c(=S)sc2c1- InChIKey
GJZGGNOKWQKDIY-UHFFFAOYSA-N- Molecular formula
- C8H5NO2S2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 210.97617075
Names & identifiers
- Preferred name
- 2-Mercapto-benzothiazole-6-carboxylic acid
- IUPAC
- 2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acid
- English name
- 6-Benzothiazolecarboxylicacid,2,3-dihydro-2-thioxo-(9CI)
- Molecular formula
- C8H5NO2S2
- Molecular weight
- 211.26
Names & synonyms
84092-99-92-Mercapto-benzothiazole-6-carboxylic acidDTXSID60354571RefChem:262396DTXCID30305631GJZGGNOKWQKDIY-UHFFFAOYSA-N2-Thioxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid2-Sulfanyl-1,3-benzothiazole-6-carboxylic acid2-MERCAPTOBENZO[D]THIAZOLE-6-CARBOXYLIC ACID6-Benzothiazolecarboxylic acid, 2,3-dihydro-2-thioxo-Oprea1_667210SCHEMBL6267261
Show more names
6-Benzothiazolecarboxylicacid,2,3-dihydro-2-thioxo-(9CI)
2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acidMFCD01460923STK378117AKOS005448316AB091422-sulfanylbenzothiazole-6-carboxylic acidSY330826DB-273080
Database identifiers
- CAS
84092-99-9- PubChem CID
- 776459
- DTXSID
DTXSID60354571- EC Number
- 119-423-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesSkin Irrit. 2 (100%)
Suppliers
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Related reactions
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Compound notes
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