Phenylthiohydantoin-glutamine Structure

Phenylthiohydantoin-glutamine

Chemical Properties

Melting point 205 °C
Boiling point 476.7±37.0 °C(Predicted)
Density  1.40±0.1 g/cm3(Predicted)
storage temp.  −20°C
form  solid
pka 10.94±0.40(Predicted)
InChI 1S/C12H13N3O2S/c13-10(16)7-6-9-11(17)15(12(18)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,18)/t9-/m0/s1
InChIKey UNCINZHSIAEDPO-VIFPVBQESA-N
SMILES NC(=O)CC[C@@H]1NC(=S)N(C1=O)c2ccccc2
CAS DataBase Reference 10567-86-9
UNSPSC Code 12352209
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H335-H319-H315
Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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