Basic information
- CAS
5028-87-5- Standard SMILES
CC(=O)N=c1sccn1CC(O)c1cccs1- InChIKey
TWOQVRDPCSGVLB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.03401998
Names & identifiers
- Preferred name
- Antazonite
- IUPAC
- N-[3-(2-hydroxy-2-thiophen-2-ylethyl)-1,3-thiazol-2-ylidene]acetamide
- English name
- (NZ)-N-[3-(2-hydroxy-2-thiophen-2-yl-ethyl)-1,3-thiazol-2-ylidene]acetamide
- Molecular formula
- C11H12N2O2S2
- Molecular weight
- 268.36
Names & synonyms
Antazonite5028-87-5AntazonitaAntazonite [INN]R 6438K9RLQ5L66XR-6438N-[3-(2-hydroxy-2-thiophen-2-ylethyl)-1,3-thiazol-2-ylidene]acetamideAntazonitumThiazothienol(NZ)-N-[3-(2-HYDROXY-2-THIOPHEN-2-YL-ETHYL)-1,3-THIAZOL-2-YLIDENE]ACETAMIDEUNII-K9RLQ5L66X
Show more names
Acetamide, N-(3-(2-hydroxy-2-(2-thienyl)ethyl)-2(3H)-thiazolylidene)-
R 6438orb1698383SCHEMBL1818305CHEMBL2105962DTXSID301016598(E)-N-(3-(2-hydroxy-2-(thiophen-2-yl)ethyl)thiazol-2(3H)-ylidene)acetamideAcetamide, N-(3-(2-hydroxy-2-(2-thienyl)ethyl)-4-thiazolin-2-ylidene)-AKOS040750528
Database identifiers
- CAS
5028-87-5- PubChem CID
- 170341
- DTXSID
DTXSID301016598- ChEMBL
CHEMBL2105962- UNII
- K9RLQ5L66X
- Nikkaji
- J397.685H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 466.141 · 466.141±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.406 · 1.406±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.76 · 12.760±0.20(predicted)
- FDA UNII
- 9 RLQ5L66X · K9RLQ5L66X
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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