Basic information
- Standard SMILES
OCc1cccc2nsnc12- InChIKey
LASMSURVAZPERF-UHFFFAOYSA-N- Molecular formula
- C7H6N2OS
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.02008381
Names & identifiers
- Preferred name
- (2,1,3-Benzothiadiazol-4-yl)methanol
- IUPAC
- 2,1,3-benzothiadiazol-4-ylmethanol
- English name
- 2,1,3-Benzothiadiazol-4-ylmethanol,97%
- Molecular formula
- C7H6N2OS
- Molecular weight
- 166.2
Names & synonyms
16406-00-1(2,1,3-Benzothiadiazol-4-yl)methanolDTXSID10434079RefChem:205303DTXCID30384906Benzo[c][1,2,5]thiadiazol-4-ylmethanol2,1,3-BENZOTHIADIAZOL-4-YLMETHANOL2,1,3-BENZOTHIADIAZOL-4-YLMETHANOL,97per cent4-Hydroxymethyl-2,1,3-benzothiadiazoleSCHEMBL4678156SCHEMBL7718402LASMSURVAZPERF-UHFFFAOYSA-N
Show more names
2,1,3-Benzothiadiazole-4-methanol2,1,3-Benzothiadiazol-4-ylmethanol,97%
EN300-43744
Database identifiers
- CAS
16406-00-1- PubChem CID
- 10012273
- DTXSID
DTXSID10434079
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 66 · 66-67 °C
- Boiling point
- 313.5 · 313.5±17.0 °C(Predicted)
- Density
- 1.466 · 1.466±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.33 · 13.33±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
吉林中科研伸科技有限公司18143011203 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
3 records
Linked notes
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