| CAS Number | 59303-11-6 |
| Catalog Number | AG01BE9U(AGN-PC-0KLDKL) |
| Chemical Name | 1-[(thiophen-2-yl)methyl]-1H-pyrrole |
| IUPAC Name | 1-(thiophen-2-ylmethyl)pyrrole |
| InChI | InChI=1S/C9H9NS/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2 |
| InChI Key | DRZFDGBYLWYHMU-UHFFFAOYSA-N |
| MDL Number | MFCD00112832 |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.2395 |
| SMILES | C(N1C=CC=C1)C1SC=CC=1 |
| Synonyms | 1-[(thiophen-2-yl)methyl]-1H-pyrrole,
1-(thiophen-2-ylmethyl)-1H-pyrrole,
59303-11-6,
AC1MD1YO,
Maybridge3_000835,
1-(2-Thenyl)-1H-pyrrole,
SCHEMBL448303,
1-(thiophen-2-ylmethyl)pyrrole,
HMS1433F21,
N-(thienyl-2-methyl)-1h-pyrrole,
ZINC139336,
AKOS008961736,
MCULE-1438287769,
NE54277,
IDI1_012222,
ZINC00139336,
CID2804470,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.238g/mol |
| Monoisotopic Mass | 163.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number