Chemical Properties of Rhodanine, 5-cinnamylidene- (CAS 15328-87-7)

Rhodanine, 5-cinnamylidene-

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InChI
InChI=1S/C12H9NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)/b7-4-,10-8+
InChI Key
FPSVMWLWFSURME-WIXOJMCHSA-N
Formula
C12H9NOS2
SMILES
OC1=NC(=S)SC1=CC=Cc1ccccc1
Molecular Weight1
247.34
CAS
15328-87-7
Sources

Physical Properties

Property Value Unit Source
Δf 463.51 kJ/mol Joback Calculated Property
Δfgas 345.00 kJ/mol Joback Calculated Property
Δfus 34.02 kJ/mol Joback Calculated Property
Δvap 83.03 kJ/mol Joback Calculated Property
logPoct/wat 3.57 Crippen Calculated Property
Pc 4041.50 kPa Joback Calculated Property
Tboil 801.88 K Joback Calculated Property
Tc 1062.51 K Joback Calculated Property
Tfus 564.60 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 448.17 J/mol×K 801.88 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-S- (ring) 1
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 4
-S- 1
-N= (ring) 1
=CH- 3

Similar Compounds

Rhodanine, 5-benzylidene. Rhodanine, 5-p-chlorobenzylidene. 2,4-Thiazolidinedione, 5-p-hydroxybenzylidene-. (Z)-Cnidimine. (E)-Cnidimine. Edulisin III. Brilliant violet. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 5-Methyluridine, tris(trifluoroacetate). Ergonovine maleate. Buprenorphine. Lysergol. 1-Oxo-2-(3-phenylrhodanin-5-ylidene)-3-pyridinium-4-naphthoxide. Aflatoxin B2. 2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one (Usnic acid).

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