| CAS Number | 879350-77-3 |
| Catalog Number | AG01AAGL |
| Chemical Name | 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine |
| IUPAC Name | 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C13H14N2S/c1-8-12(15-13(14)16-8)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H2,14,15) |
| InChI Key | PIHSKMPOPWHJCA-UHFFFAOYSA-N |
| MDL Number | MFCD09284271 |
| Molecular Formula | C13H14N2S |
| Molecular Weight | 230.3287 |
| SMILES | CC1=C(C2=CC3=C(CCC3)C=C2)N=C(N)S1 |
| Synonyms | 4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine,
879350-77-3,
AC1PF9ST,
AC1Q2FME,
ZINC8429446,
AKOS000349731,
MCULE-5352048235,
NE31639,
EN300-68559,
ZINC08429446,
CID8878238,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.329g/mol |
| Monoisotopic Mass | 230.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number