| CAS Number | 1835759-69-7 |
| Catalog Number | AG019E3U |
| Chemical Name | 1-Isothiocyanato-PEG4-Alcohol |
| IUPAC Name | 2-[2-[2-(2-isothiocyanatoethoxy)ethoxy]ethoxy]ethanol |
| InChI | InChI=1S/C9H17NO4S/c11-2-4-13-6-8-14-7-5-12-3-1-10-9-15/h11H,1-8H2 |
| InChI Key | ZFBITNPIULLZRY-UHFFFAOYSA-N |
| MDL Number | MFCD29052173 |
| Molecular Formula | C9H17NO4S |
| Molecular Weight | 235.3006 |
| SMILES | C(COCCOCCOCCO)N=C=S |
| Synonyms | 1-isothiocyanato-PEG4-Alcohol,
1835759-69-7,
BP-22970,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.298g/mol |
| Monoisotopic Mass | 235.088g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number