Basic information
- CAS
22035-30-9- Standard SMILES
COc1ccc(-c2cnc(N)s2)c(OC)c1- InChIKey
QYEYOJMZNDONSL-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- Thiazole, 2-amino-5-(2,4-dimethoxyphenyl)-
- IUPAC
- 5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
- English name
- 2-Thiazolamine, 5-(2,4-dimethoxyphenyl)-
- Molecular formula
- C11H12N2O2S
- Molecular weight
- 236.29
Names & synonyms
22035-30-9Thiazole, 2-amino-5-(2,4-dimethoxyphenyl)-2-Amino-5-(2,4-dimethoxyphenyl)thiazoleDTXSID90176506RefChem:384519DTXCID30989975-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine5-(2,4-Dimethoxyphenyl)thiazol-2-amineMFCD01681565H807302-Thiazolamine, 5-(2,4-dimethoxyphenyl)-
Database identifiers
- CAS
22035-30-9- PubChem CID
- 210993
- DTXSID
DTXSID90176506
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 394.6 · 394.6±32.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 4.35 · 4.35±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
Suppliers2 total
安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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