ISOTHIOCYANIC ACID, s-PHENENYL ESTER
1,3,5-triisothiocyanatobenzene
Also Known As: 1,3,5-Triisothiocyanatobenzene|ISOTHIOCYANIC ACID, s-PHENENYL ESTER|AC1L1PLM|RefChem:150045|Isothiocyanic acid, s-phenenyl triester|1,3,5-Trithioisocyanobenzene|ACMC-20m4p4|BRN 3293763|LLJPDGVAIMDGFS-UHFFFAOYSA-N|Benzene,1,3,5-triisothiocyanato-|YSZC2240|1,3,5-triisothio-cyanatobenzene|CTK4A0083|1,3,5-Triisothiocyanatobenzene #|Benzene, 1,3,5-triisothiocyanato-|benzene-1,3,5-triyl triisothiocyanate|3-13-00-00555 (Beilstein Handbook Reference)|B2699-277438
| Molecular Formula | C9H3N3S3 |
|---|---|
| Molecular Weight | 248.94891 g/mol |
| LogP | 3.89 |
| Topological Polar Surface Area | 37.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.94891 |
| Heavy Atoms | 15 |
| Complexity | 430.9 |
Chemical Identifiers
| CAS Number | 101670-67-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1N=C=S)N=C=S)N=C=S |
Product Overview
ISOTHIOCYANIC ACID, s-PHENENYL ESTER (CAS 101670-67-1), with molecular formula C9H3N3S3 and molecular weight 248.94891 g/mol. IUPAC: 1,3,5-triisothiocyanatobenzene.
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