| CAS Number | 1023815-54-4 |
| Catalog Number | AG01C4GV |
| Chemical Name | (4,5-Dimethylthiophen-3-yl)methanamine |
| IUPAC Name | (4,5-dimethylthiophen-3-yl)methanamine |
| InChI | InChI=1S/C7H11NS/c1-5-6(2)9-4-7(5)3-8/h4H,3,8H2,1-2H3 |
| InChI Key | QPWAHRUUSKKOBD-UHFFFAOYSA-N |
| MDL Number | MFCD09880376 |
| Molecular Formula | C7H11NS |
| Molecular Weight | 141.2339 |
| SMILES | CC1=C(C)C(CN)=CS1 |
| Synonyms | (4,5-dimethylthiophen-3-yl)methanamine,
1023815-54-4,
ZINC19754964,
AKOS006311735,
MCULE-6043538790,
|
| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.232g/mol |
| Monoisotopic Mass | 141.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number