| CAS Number | 90507-33-8 |
| Catalog Number | AG01BC8F(AGN-PC-03G1Q0) |
| Chemical Name | (1,2,5-Thiadiazol-3-yl)methanol |
| IUPAC Name | 1,2,5-thiadiazol-3-ylmethanol |
| InChI | InChI=1S/C3H4N2OS/c6-2-3-1-4-7-5-3/h1,6H,2H2 |
| InChI Key | AICZEPAZLXWVES-UHFFFAOYSA-N |
| MDL Number | MFCD20485291 |
| Molecular Formula | C3H4N2OS |
| Molecular Weight | 116.1417 |
| SMILES | OCC1=NSN=C1 |
| Synonyms | 1,2,5-thiadiazol-3-ylmethanol,
90507-33-8,
SCHEMBL241729,
(1,2,5-Thiadiazol-3-yl)methanol,
ZINC113371426,
[1,2,5]thiadiazol-3-ylmethanol,
|
| Complexity | 60.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.138g/mol |
| Monoisotopic Mass | 116.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number