Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate
CAS Registry Number®
4151-51-3
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CAS Name
Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioateMolecular Formula
C21H12N3O6PSMolecular Mass
465.38Cite this Page
Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4151-51-3 (retrieved ) (CAS RN: 4151-51-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H
InChIKey
InChIKey=KGLSETWPYVUTQX-UHFFFAOYSA-N
SMILES
P(OC1=CC=C(N=C=O)C=C1)(OC2=CC=C(N=C=O)C=C2)(OC3=CC=C(N=C=O)C=C3)=S
Canonical SMILES
O=C=NC1=CC=C(OP(=S)(OC2=CC=C(N=C=O)C=C2)OC3=CC=C(N=C=O)C=C3)C=C1
Other Names for this Substance
- Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate
- Isocyanic acid, p-hydroxyphenyl ester, phosphorothioate (3:1) (ester)
- Phosphorothioic acid, O,O,O-tris(p-isocyanatophenyl) ester
- Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)
- Phenol, p-isocyanato-, phosphorothioate (3:1) (ester)
Deleted or Replaced CAS Registry Numbers
287726-52-7