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CAS Number: 4430-49-3
4,4'-sulfonylbis(isothiocyanatobenzene)

Structure

4,4'-sulfonylbis(isothiocyanatobenzene)
Name: 4,4'-sulfonylbis(isothiocyanatobenzene)
Synonyms:
General Information
Product Number: 4430493
CAS Registry Number: 4430-49-3
Name:
Benzene, 1,​1'-​sulfonylbis[4-​isothiocyanato-
Isothiocyanic acid, sulfonyldi-​p-​phenylene ester (7CI,​8CI); (p-​Isothiocyanatophenyl​)​-​p-​thiocyanatophenyl sulfone; Bis(4-​isothiocyanatophenyl​)​sulfone; Bis(p-​isothiocyanatophenyl​) sulfone; Diphenyl sulfone 4,​4'-​diisothiocyanate; NSC 140913 
 
Chemical Formula: C14H8N2O2S3
Exact Mass: 331.97
Molecular Weight: 332.42
m/z: 331.97 (100.0%), 332.98 (15.3%), 333.97 (13.6%), 332.97 (3.1%), 334.97 (2.4%), 333.98 (2.0%)
Elemental Analysis: C, 50.58; H, 2.43; N, 8.43; O, 9.63; S, 28.94
 
InChI: InChI=1S/C14H8N2O2S3/c17-21(18,13-5-1-11(2-6-13)15-9-19)14-7-3-12(4-8-14)16-10-20/h1-8H
InChIKey: PQCJXOVOHXALIO-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1N=C=S)S(=O)(=O)C2=CC=C(C=C2)N=C=S
 
Thermal Properties Value Condition Note
Melting Point 182-183 °C Solv: benzene (71-43-2); hexane (110-54-3) (2)IC
Melting Point 172 °C   (3)CAS
Melting Point 145-147 °C Solv: acetone (67-64-1) (1)CAS

Specification

98%

References
  1. (1) Ghorab, M. M.; Phosphorus, Sulfur and Silicon and the Related Elements 2008, V183(12), P2891-2905 CAPLUS
  2. (2) Nagarajan, K.; Indian Journal of Pharmaceutical Sciences 1986, V48(3), P53-9 CAPLUS
  3. (3) Carvajal, G.; Ciencia (Mexico City) 1960, V20, P35-7 CAPLUS
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