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330855-07-7 molecular structure
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(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

ChemBase ID: 311185
Molecular Formular: C10H8INO2S2
Molecular Mass: 365.21049
Monoisotopic Mass: 364.9041185
SMILES and InChIs

SMILES:
N1(C(=S)S/C(=C\c2oc(cc2)I)/C1=O)CC
Canonical SMILES:
CCN1C(=O)/C(=C/c2ccc(o2)I)/SC1=S
InChI:
InChI=1S/C10H8INO2S2/c1-2-12-9(13)7(16-10(12)15)5-6-3-4-8(11)14-6/h3-5H,2H2,1H3/b7-5-
InChIKey:
SCVAFGWDLXPFBD-ALCCZGGFSA-N

Cite this record

CBID:311185 http://www.chembase.cn/molecule-311185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC Traditional name
(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Synonyms
(5Z)-3-ethyl-5-[(5-iodo-2-furyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CAS Number
330855-07-7
MDL Number
MFCD01361760

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1415992  LogD (pH = 7.4) 3.1415992 
Log P 3.1415992  Molar Refractivity 77.9095 cm3
Polarizability 30.377789 Å3 Polar Surface Area 33.45 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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