| CAS Number | 1638526-21-2 |
| Catalog Number | AG01EO68(AGN-PC-3H4687) |
| Chemical Name | EMT inhibitor-1 |
| IUPAC Name | 4-[[4-(3,4-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol |
| InChI | InChI=1S/C12H12Cl2N2O2S/c13-9-4-3-8(7-10(9)14)11-12(16-19-15-11)18-6-2-1-5-17/h3-4,7,17H,1-2,5-6H2 |
| InChI Key | FWMUIOJZHOPPDX-UHFFFAOYSA-N |
| MDL Number | MFCD30747886 |
| Molecular Formula | C12H12Cl2N2O2S |
| Molecular Weight | 319.2069 |
| SMILES | ClC=1C=C(C=CC1Cl)C=1C(=NSN1)OCCCCO |
| Synonyms | EMT inhibitor-1,
1638526-21-2,
4-((4-(3,4-dichlorophenyl)-1,2,5-thiadiazol-3-yl)oxy)butan-1-ol,
4-{[4-(3,4-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxy}butan-1-ol,
SCHEMBL16538919,
FWMUIOJZHOPPDX-UHFFFAOYSA-N,
SB19125,
HY-101275,
CS-0021073,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.2g/mol |
| Monoisotopic Mass | 318g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number