Basic information
- CAS
29401-60-3- Standard SMILES
O=S(=O)(O)c1ccc2[nH]c(=S)sc2c1- InChIKey
BQWXNGQUOGGJAU-UHFFFAOYSA-N- Molecular formula
- C7H5NO3S3
- Average molar mass
- 247.3 g/mol
- Monoisotopic mass
- 246.94315654
Names & identifiers
- Preferred name
- 2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid
- IUPAC
- 2-sulfanylidene-3H-1,3-benzothiazole-6-sulfonic acid
- English name
- 2,3-dihydro-2-thioxobenzothiazole-6-sulphonic acid
- Molecular formula
- C7H5NO3S3
- Molecular weight
- 247.3145
Names & synonyms
29401-60-32,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acidL87UNU3OJL2-Thioxo-2,3-dihydrobenzo[d]thiazole-6-sulfonic acid2-SULFANYLIDENE-2,3-DIHYDRO-1,3-BENZOTHIAZOLE-6-SULFONIC ACID2-Thioxo-2,3-dihydrobenzo(d)thiazole-6-sulfonic acidEINECS 249-607-4UNII-L87UNU3OJLDTXSID60183626BQWXNGQUOGGJAU-UHFFFAOYSA-NNS000286846-Benzothiazolesulfonic acid, 2,3-dihydro-2-thioxo-
Show more names
2,3-Dihydro-2-thioxo-6-benzothiazolesulfonic acid
2,3-DIHYDRO-2-THIOXOBENZOTHIAZOLE-6-SULFONIC ACID
Database identifiers
- CAS
29401-60-3- PubChem CID
- 2802159
- DTXSID
DTXSID60183626- UNII
- L87UNU3OJL
- EC Number
- 249-607-4
- Nikkaji
- J250.831A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 87 UNU3OJL · L87UNU3OJL
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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