| CAS Number | 288323-41-1 |
| Catalog Number | AG00C3FD |
| Chemical Name | Thienyldecyl Isothiocyanate |
| IUPAC Name | 2-(10-isothiocyanatodecyl)thiophene |
| InChI | InChI=1S/C15H23NS2/c17-14-16-12-8-6-4-2-1-3-5-7-10-15-11-9-13-18-15/h9,11,13H,1-8,10,12H2 |
| InChI Key | QRGUKFSTCYZBKD-UHFFFAOYSA-N |
| MDL Number | MFCD02093282 |
| Molecular Formula | C15H23NS2 |
| Molecular Weight | 281.4798 |
| SMILES | S=C=NCCCCCCCCCCC1=CC=CS1 |
| Synonyms | Thienyldecyl isothiocyanate,
SCHEMBL8099168,
SGCUT00227,
to_000068,
ZINC2576902,
288323-41-1,
2-(10-isothiocyanatodecyl)thiophene,
CID9925743,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.476g/mol |
| Monoisotopic Mass | 281.127g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 72.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number