Basic information
- CAS
105512-88-7- Standard SMILES
COc1ccc(-c2nc(N)sc2C)cc1- InChIKey
WUTXFLYFZOMYSF-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
- IUPAC
- 4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
- English name
- 4-(4-Methoxy-phenyl)-5-methyl-thiazol-2-ylamine
- Molecular formula
- C11H12N2OS
- Molecular weight
- 220.29
Names & synonyms
4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amineRefChem:514328823-757-6105512-88-74-(4-Methoxy-phenyl)-5-methyl-thiazol-2-ylamine4-(4-methoxyphenyl)-5-methylthiazol-2-amine2-Thiazolamine,4-(4-methoxyphenyl)-5-methyl-MFCD007718134-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2(3H)-imineF2146-0051SMSSF-00172934-(4-methoxyphenyl)-5-methyl-1,3-thiazole-2-ylamine
Show more names
AURORA KA-7886TIMTEC-BB SBB0015374-(4-Methoxyphenyl)-5-methyl-2-thiazolamine2-AMINO-4-(4-METHOXYPHENYL)-5-METHYLTHIAZOLE
4-(p-methoxyphenyl)-5-methyl-1,3-thiazol-2-ylamineF0126-0236Cambridge id 5341866Oprea1_151662Oprea1_637685Oprea1_823928SCHEMBL558439CHEMBL177022
Database identifiers
- CAS
105512-88-7- PubChem CID
- 613228
- DTXSID
DTXSID70909576
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 384.9 · 384.9±30.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 5.05 · 5.05±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Suppliers9 total
Aladdin Scientific[email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
11 records
Compound notes
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