5398-29-8

Name 3-Isothioureidopropionic acid
CAS 5398-29-8
EINECS(EC#) 226-430-0
Molecular Formula C4H8N2O2S
MDL Number MFCD08274984
Molecular Weight 148.18
MOL File 5398-29-8.mol
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Chemical Properties

Melting point  183-184 °C
Boiling point  323.4±44.0 °C(Predicted)
density  1.49±0.1 g/cm3(Predicted)
vapor pressure  0.0±1.5 mmHg at 25°C
refractive index  1.607
Fp  149.4±28.4 °C
storage temp.  Sealed in dry, Room Temperature
form  Powder
pka 3.98±0.10(Predicted)
color  White
Water Solubility  12.01g/L at 20℃
InChI InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)
InChIKey ICCLGNPZARKJKF-UHFFFAOYSA-N
SMILES C(O)(=O)CCSC(N)=N
LogP -2.16 at 24℃
EPA Substance Registry System 3-(Aminoiminomethyl)thiopropanoic acid (5398-29-8)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
Signal word  Danger
Hazard statements  H301-H317-H412
Precautionary statements  P273-P280
TSCA  TSCA listed
REACH Registrations Active

Hazard Information

Spectrum Detail

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