| CAS Number | 889940-59-4 |
| Catalog Number | AG01DUBH(AGN-PC-0WO9XO) |
| Chemical Name | 3-(5-methylfuran-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine |
| IUPAC Name | 3-(5-methylfuran-2-yl)-1,2,4-thiadiazol-5-amine |
| InChI | InChI=1S/C7H7N3OS/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h2-3H,1H3,(H2,8,9,10) |
| InChI Key | SAGATEPPWVUPHS-UHFFFAOYSA-N |
| MDL Number | MFCD08436225 |
| Molecular Formula | C7H7N3OS |
| Molecular Weight | 181.215 |
| SMILES | CC1OC(C2NSC(=N)N=2)=CC=1 |
| Synonyms | 3-(5-methyl-2-furyl)-1,2,4-thiadiazol-5-amine,
3-(5-methylfuran-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine,
889940-59-4,
AC1Q2MPG,
ZINC28405276,
AKOS009578436,
MCULE-9516075206,
NE54921,
EN300-65634,
Z1262398403,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.213g/mol |
| Monoisotopic Mass | 181.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number