Benzothiazole, 2-[(tribromomethyl)sulfonyl]-
Basic information
- CAS
31274-42-7- Standard SMILES
O=S(=O)(c1nc2ccccc2s1)C(Br)(Br)Br- InChIKey
NREKJIIPVVKRNO-UHFFFAOYSA-N- Molecular formula
- C8H4Br3NO2S2
- Average molar mass
- 450 g/mol
- Monoisotopic mass
- 446.72336
Names & identifiers
- Preferred name
- Benzothiazole, 2-[(tribromomethyl)sulfonyl]-
- IUPAC
- 2-(tribromomethylsulfonyl)-1,3-benzothiazole
- English name
- 2-(tribromomesyl)benzothiazole
- Molecular formula
- C8H4Br3NO2S2
- Molecular weight
- 449.96
Names & synonyms
Benzothiazole, 2-[(tribromomethyl)sulfonyl]-EINECS 250-542-9Benzothiazole, 2-((tribromomethyl)sulfonyl)-DTXSID3067607RefChem:566280DTXCID103832731274-42-72-(Tribromomesyl)benzothiazoleSCHEMBL3275548NS000507452-(Tribromomethanesulfonyl)-1,3-benzothiazole2-[(tribromomethyl)sulfonyl]-1,3-benzothiazole
Show more names
2-[(Tribromomethyl)sulfonyl]benzothiazole2-((TRIBROMOMETHYL)SULPHONYL)BENZOTHIAZOLE
Database identifiers
- CAS
31274-42-7- PubChem CID
- 93148
- DTXSID
DTXSID3067607- EC Number
- 250-542-9
- Nikkaji
- J278.081J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzothiazole, 2-[(tribromomethyl)sulfonyl]- (31274-42-7)
- 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 InformationBenzothiazole, 2-[(tribromomethyl)sulfonyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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