| CAS Number | 103144-38-3 |
| Catalog Number | AG019E4D(AGN-PC-0NCWFT) |
| Chemical Name | 1,15-Dithioxo-5,8,11-trioxa-2,14-diazapentadeca-1,14-diene |
| IUPAC Name | 1-isothiocyanato-2-[2-[2-(2-isothiocyanatoethoxy)ethoxy]ethoxy]ethane |
| InChI | InChI=1S/C10H16N2O3S2/c16-9-11-1-3-13-5-7-15-8-6-14-4-2-12-10-17/h1-8H2 |
| InChI Key | UPJJUEGIVKIWSI-UHFFFAOYSA-N |
| MDL Number | MFCD29079398 |
| Molecular Formula | C10H16N2O3S2 |
| Molecular Weight | 276.3756 |
| SMILES | S=C=NCCOCCOCCOCCN=C=S |
| Synonyms | Ethane, 1,1'-oxybis[2-(2-isothiocyanatoethoxy)-,
103144-38-3,
PEG3-Bis-isothiocyanato,
ACMC-20m60v,
CTK0G7214,
DTXSID50448539,
BP-23104,
Oxybis(ethyleneoxyethylene)diisothiocyanate,
CID10923834,
1-(2-isothiocyanatoethoxy)-2-[2-(2-isothiocyanatoethoxy)ethoxy]ethane,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.369g/mol |
| Monoisotopic Mass | 276.06g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number