| CAS Number | 944281-39-4 |
| Catalog Number | AG01BB1M |
| Chemical Name | (Dichloro-1,2-thiazol-5-yl)methanol |
| IUPAC Name | (3,4-dichloro-1,2-thiazol-5-yl)methanol |
| InChI | InChI=1S/C4H3Cl2NOS/c5-3-2(1-8)9-7-4(3)6/h8H,1H2 |
| InChI Key | DVPGIHUMECXCPW-UHFFFAOYSA-N |
| MDL Number | MFCD28361228 |
| Molecular Formula | C4H3Cl2NOS |
| Molecular Weight | 184.0437 |
| SMILES | OCC1=C(Cl)C(Cl)=NS1 |
| Synonyms | (dichloro-1,2-thiazol-5-yl)methanol,
944281-39-4,
(3,4-dichloroisothiazol-5-yl)methanol,
SCHEMBL1466218,
DVPGIHUMECXCPW-UHFFFAOYSA-N,
3,4-Dichloro-5-isothiazolemethanol,
ZINC116253595,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.034g/mol |
| Monoisotopic Mass | 182.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number