Basic information
- CAS
39543-16-3- Standard SMILES
CC(C)(C)Sc1nc2ccccc2s1- InChIKey
OBNJMMOIUUIFCV-UHFFFAOYSA-N- Molecular formula
- C11H13NS2
- Average molar mass
- 223.4 g/mol
- Monoisotopic mass
- 223.04894177
Names & identifiers
- Preferred name
- 2-(tert-Butylthio)benzothiazole
- IUPAC
- 2-tert-butylsulfanyl-1,3-benzothiazole
- English name
- Benzothiazole, 2-[(1,1-dimethylethyl)thio]- (9CI)
- Molecular formula
- C11H13NS2
- Molecular weight
- 223.35762
Names & synonyms
BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-2-tert-Butylthiobenzothiazole2-(tert-Butylthio)benzothiazoleDJP3029XXTNSC 202404BRN 1211328Benzothiazole, 2-((1,1-dimethylethyl)thio)-UNII-DJP3029XXTNSC-202404DTXSID70192663Benzothiazole, 2-[(1,1-dimethylethyl)thio]-2-((1,1-DIMETHYLETHYL)THIO)BENZOTHIAZOLE
Show more names
2-[(1,1-Dimethylethyl)thio]benzothiazoleBenzothiazole, 2-[(1,1-dimethylethyl)thio]- (9CI)
RefChem:197644DTXCID10115154Benzothiazole, 2-((1,1-dimethylethyl)thio)-(9CI)39543-16-32-(tert-butylsulfanyl)-1,3-benzothiazoleNSC202404SCHEMBL5962402Benzothiazole,1-dimethylethyl)thio]-
Database identifiers
- CAS
39543-16-3- PubChem CID
- 38285
- DTXSID
DTXSID70192663- UNII
- DJP3029XXT
- Nikkaji
- J41.960E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- FDA UNII
- 3029 XXT · DJP3029XXT
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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