| CAS Number | 885278-84-2 |
| Catalog Number | AG00GS4U(AGN-PC-0VM5RA) |
| Chemical Name | [2-(3,5-DIMETHYL-PHENYL)-THIAZOL-4-YL]-METHANOL |
| IUPAC Name | [2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanol |
| InChI | InChI=1S/C12H13NOS/c1-8-3-9(2)5-10(4-8)12-13-11(6-14)7-15-12/h3-5,7,14H,6H2,1-2H3 |
| InChI Key | LFNVTPLJRBEDGW-UHFFFAOYSA-N |
| MDL Number | MFCD06738380 |
| Molecular Formula | C12H13NOS |
| Molecular Weight | 219.3027 |
| SMILES | CC1=CC(=CC(C)=C1)C1=NC(CO)=CS1 |
| Synonyms | 885278-84-2,
(2-(3,5-Dimethylphenyl)thiazol-4-yl)methanol,
[2-(3,5-DIMETHYL-PHENYL)-THIAZOL-4-YL]-METHANOL,
[2-(3,5-Dimethylphenyl)-1,3-thiazol-4-yl]methanol,
MFCD06738380,
ZINC87493341,
AKOS024260618,
AB27039,
AK154350,
AS-40919,
AJ-128052,
AX8024144,
DB-077777,
FT-0711052,
Y5613,
C12H13NOS,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.302g/mol |
| Monoisotopic Mass | 219.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number