Basic information
- CAS
1303968-50-4- Standard SMILES
CC(C)(C)c1ccc2sc(N)nc2c1- InChIKey
XPSGSWDTMNDZOC-UHFFFAOYSA-N- Molecular formula
- C11H14N2S
- Average molar mass
- 206.31 g/mol
- Monoisotopic mass
- 206.08776963
Names & identifiers
- Preferred name
- 5-(tert-Butyl)benzo[d]thiazol-2-amine
- IUPAC
- 5-tert-butyl-1,3-benzothiazol-2-amine
- English name
- 5-tert-Butyl-benzothiazol-2-ylamine
- Molecular formula
- C11H14N2S
- Molecular weight
- 206.31
Names & synonyms
5-(tert-Butyl)benzo[d]thiazol-2-amine1303968-50-45-TERT-BUTYL-BENZOTHIAZOL-2-YLAMINE5-tert-butyl-1,3-benzothiazol-2-amineMFCD15071491SCHEMBL1795235-t-Butyl-benzothiazol-2-ylamine5-tert-Butylbenzodthiazol-2-amineDTXSID201269378SB327265-(1,1-Dimethylethyl)-2-benzothiazolamineCS-0337971
Show more names
2-Benzothiazolamine, 5-(1,1-dimethylethyl)-H60782
Database identifiers
- CAS
1303968-50-4- PubChem CID
- 53408335
- DTXSID
DTXSID201269378
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 337.9 · 337.9±35.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海爱孜康医药研究有限公司18721109360 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海智乾生物科技有限公司[email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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