Basic information
- CAS
103037-98-5- Standard SMILES
Cc1ccc(O)c(-c2csc(N)n2)c1- InChIKey
JMLQQWPWAGJCEQ-UHFFFAOYSA-N- Molecular formula
- C10H10N2OS
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.05138412
Names & identifiers
- Preferred name
- Phenol, 2-(2-amino-4-thiazolyl)-4-methyl-
- IUPAC
- 2-(2-amino-1,3-thiazol-4-yl)-4-methylphenol
- English name
- 2-(2-Amino-thiazol-4-yl)-4-methyl-phenol
- Molecular formula
- C10H10N2OS
- Molecular weight
- 206.26
Names & synonyms
103037-98-5Phenol, 2-(2-amino-4-thiazolyl)-4-methyl-DTXSID60469775RefChem:368975DTXCID104205932-(2-Aminothiazol-4-yl)-4-methylphenol2-(2-amino-1,3-thiazol-4-yl)-4-methylphenol2-(2-Imino-2,3-dihydrothiazol-4-yl)-4-methylphenol2-(2-amino(1,3-thiazol-4-yl))-4-methylphenolJMLQQWPWAGJCEQ-UHFFFAOYSA-NSBB082418STK694119
Show more names
2-(2-Amino-thiazol-4-yl)-4-methyl-phenolJR-13977, 2-(2-Aminothiazol-4-yl)-4-methylphenol, 95%
AKOS0022838302-(2-aminothiazol-4-yl)-4-methyl-phenolST4145155CS-0280296EN300-1866461
Database identifiers
- CAS
103037-98-5- PubChem CID
- 11635017
- DTXSID
DTXSID60469775
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 160 °C · 160 °C(Solv: ethanol (64-17-5))
- Boiling point
- 397 · 397.0±27.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 8.78 · 8.78±0.43(Predicted)
- form
- solid
- InChI
- 1S/C11H11NOS/c1-7-3-4-11(13)9(5-7)10-6-14-8(2)12-10/h3-6,13H,1-2H3
- InChIKey
- GNLUONSQMQRANA-UHFFFAOYSA-N
- SMILES
- CC1=CC(C2=CSC(C)=N2)=C(O)C=C1
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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