| CAS Number | 104163-37-3 |
| Catalog Number | AG01AP2D |
| Chemical Name | (5-methylthiophen-3-yl)methanamine |
| IUPAC Name | (5-methylthiophen-3-yl)methanamine |
| InChI | InChI=1S/C6H9NS/c1-5-2-6(3-7)4-8-5/h2,4H,3,7H2,1H3 |
| InChI Key | KUAWAECOXKVJQP-UHFFFAOYSA-N |
| MDL Number | MFCD19213738 |
| Molecular Formula | C6H9NS |
| Molecular Weight | 127.2074 |
| SMILES | CC1SC=C(CN)C=1 |
| Synonyms | (5-methylthiophen-3-yl)methanamine,
104163-37-3,
3-Thiophenemethanamine, 5-methyl-,
SCHEMBL1170262,
AKOS006347008,
|
| Complexity | 74.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.205g/mol |
| Monoisotopic Mass | 127.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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