Chemical Properties of Thiantoin (CAS 7772-37-4)

Thiantoin

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InChI
InChI=1S/C13H10N2O2S/c16-11-13(15-12(17)14-11,10-7-4-8-18-10)9-5-2-1-3-6-9/h1-8H,(H2,14,15,16,17)
InChI Key
DCPACFSINCUFEC-UHFFFAOYSA-N
Formula
C13H10N2O2S
SMILES
O=C1NC(=O)C(c2ccccc2)(c2cccs2)N1
Molecular Weight1
258.30
CAS
7772-37-4
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Physical Properties

Property Value Unit Source
log10WS -3.14 Crippen Calculated Property
logPoct/wat 1.831 Crippen Calculated Property
McVol 179.400 ml/mol McGowan Calculated Property
Inp [2145.00; 2145.00]   Show Hide
Inp 2145.00 NIST
Inp 2145.00 NIST

Similar Compounds

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Sources

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