80473-92-3

Name Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6a,11b,16a,17a)-
CAS 80473-92-3
EINECS(EC#) 617-081-9
Molecular Formula C21H26F2O4S
MDL Number MFCD20481850
Molecular Weight 412.49
MOL File 80473-92-3.mol
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Chemical Properties

Melting point  230-231 °C
Boiling point  550.0±50.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO (Slightly), Methanol (Sparingly)
form  Solid:particulate/powder
pka 3.74±0.70(Predicted)
InChIKey GLAJUXBOZSWZMM-TXKOFOEMNA-N
SMILES C1=C[C@]2(C([C@@H](F)C[C@]3([C@]4([H])C[C@@H](C)[C@](O)(C(=S)O)[C@@]4(C)C[C@H](O)[C@]23F)[H])=CC1=O)C |&1:2,4,7,8,11,13,18,21,23,r|
LogP 1.298 at 22℃ and pH4.81-4.91
Surface tension 55.7mN/m at 9mg/L and 20℃

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
REACH Registrations Inactive

Hazard Information

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