| CAS Number | 53064-43-0 |
| Catalog Number | AG01AM7R(AGN-PC-00O725) |
| Chemical Name | (dimethyl-1,2-thiazol-4-yl)methanol |
| IUPAC Name | (3,5-dimethyl-1,2-thiazol-4-yl)methanol |
| InChI | InChI=1S/C6H9NOS/c1-4-6(3-8)5(2)9-7-4/h8H,3H2,1-2H3 |
| InChI Key | IDMQGDPNBZRLAM-UHFFFAOYSA-N |
| MDL Number | MFCD25964243 |
| Molecular Formula | C6H9NOS |
| Molecular Weight | 143.2068 |
| SMILES | CC1C(CO)=C(C)SN=1 |
| Synonyms | 53064-43-0,
(3,5-dimethylisothiazol-4-yl)methanol,
(dimethyl-1,2-thiazol-4-yl)methanol,
4-hydroxymethyl-3,5-dimethylisothiazole,
SCHEMBL11322447,
IDMQGDPNBZRLAM-UHFFFAOYSA-N,
ZINC34165500,
|
| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.204g/mol |
| Monoisotopic Mass | 143.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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