| CAS Number | 59565-11-6 |
| Catalog Number | AG01A99Z(AGN-PC-0WO1ZI) |
| Chemical Name | 1-Ethoxy-2-isothiocyanatoethane |
| IUPAC Name | 1-ethoxy-2-isothiocyanatoethane |
| InChI | InChI=1S/C5H9NOS/c1-2-7-4-3-6-5-8/h2-4H2,1H3 |
| InChI Key | CFUAEWAXXXGVBR-UHFFFAOYSA-N |
| MDL Number | MFCD12079990 |
| Molecular Formula | C5H9NOS |
| Molecular Weight | 131.1961 |
| SMILES | CCOCCN=C=S |
| Synonyms | 1-Ethoxy-2-isothiocyanatoethane,
2-Ethoxyethylisothiocyanate,
59565-11-6,
AC1LBE0A,
CTK6G3848,
CFUAEWAXXXGVBR-UHFFFAOYSA-N,
1-Ethoxy-2-isothiocyanatoethane #,
AC1Q3889,
ZINC32182407,
AKOS009610724,
EN300-64553,
CID533970,
|
| Complexity | 88.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.193g/mol |
| Monoisotopic Mass | 131.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number