5,5-Diphenyl-2-thiohydantoin Structure

5,5-Diphenyl-2-thiohydantoin

Chemical Properties

Melting point 237-239 °C (lit.)
Boiling point 204°C (rough estimate)
Density  1.2127 (rough estimate)
refractive index  1.7400 (estimate)
pka 7.52±0.50(Predicted)
form  powder
InChI 1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKey AMDPNECWKZZEBQ-UHFFFAOYSA-N
SMILES O=C1NC(=S)NC1(c2ccccc2)c3ccccc3
CAS DataBase Reference 21083-47-6
FDA UNII 13Y6ZC0YR8
EPA Substance Registry System 4-Imidazolidinone, 5,5-diphenyl-2-thioxo- (21083-47-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332
Precautionary statements P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  36
WGK Germany  3
RTECS  MU1750000
TSCA  TSCA listed
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
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