| CAS Number | 353282-69-6 |
| Catalog Number | AG00D56M |
| Chemical Name | 5-(1-Hydroxyethyl)thiophene-2-carbonitrile |
| IUPAC Name | 5-(1-hydroxyethyl)thiophene-2-carbonitrile |
| InChI | InChI=1S/C7H7NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,9H,1H3 |
| InChI Key | IGCHXOJQJCMNQS-UHFFFAOYSA-N |
| MDL Number | MFCD18817083 |
| Molecular Formula | C7H7NOS |
| Molecular Weight | 153.2016 |
| SMILES | CC(C1SC(C#N)=CC=1)O |
| Synonyms | 5-(1-hydroxyethyl)thiophene-2-carbonitrile,
353282-69-6,
2-Thiophenecarbonitrile, 5-(1-hydroxyethyl)- (9CI),
SCHEMBL4828130,
IGCHXOJQJCMNQS-UHFFFAOYSA-N,
AKOS024050144,
(+/-)-1-[5-cyano-thiophen-2-yl]-ethanol,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.199g/mol |
| Monoisotopic Mass | 153.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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