| CAS Number | 1033693-18-3 |
| Catalog Number | AG00J1ZX(AGN-PC-0WB5AH) |
| Chemical Name | (4-Isopropyl-1,2,3-thiadiazol-5-YL)methanol |
| IUPAC Name | (4-propan-2-ylthiadiazol-5-yl)methanol |
| InChI | InChI=1S/C6H10N2OS/c1-4(2)6-5(3-9)10-8-7-6/h4,9H,3H2,1-2H3 |
| InChI Key | OQVHEYZFBHVBKH-UHFFFAOYSA-N |
| MDL Number | MFCD10686634 |
| Molecular Formula | C6H10N2OS |
| Molecular Weight | 158.2214 |
| SMILES | C1(C(C)C)N=NSC=1CO |
| Synonyms | (4-ISOPROPYL-1,2,3-THIADIAZOL-5-YL)METHANOL,
1033693-18-3,
MFCD10686634,
ZINC19093257,
AKOS006304808,
MCULE-1643208793,
AJ-72088,
Y-6405,
[4-(propan-2-yl)-1,2,3-thiadiazol-5-yl]methanol,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.219g/mol |
| Monoisotopic Mass | 158.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number