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35274-39-6 molecular structure
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(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

ChemBase ID: 310677
Molecular Formular: C14H8BrNO2S2
Molecular Mass: 366.25282
Monoisotopic Mass: 364.9179825
SMILES and InChIs

SMILES:
N1C(=S)S/C(=C\c2oc(cc2)c2ccc(cc2)Br)/C1=O
Canonical SMILES:
S=C1S/C(=C\c2ccc(o2)c2ccc(cc2)Br)/C(=O)N1
InChI:
InChI=1S/C14H8BrNO2S2/c15-9-3-1-8(2-4-9)11-6-5-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)/b12-7-
InChIKey:
MERSOXJRJWZSND-GHXNOFRVSA-N

Cite this record

CBID:310677 http://www.chembase.cn/molecule-310677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC Traditional name
(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Synonyms
(5Z)-5-{[5-(4-bromophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one
CAS Number
35274-39-6
MDL Number
MFCD20502973

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1315236  LogD (pH = 7.4) 3.8747509 
Log P 4.1360545  Molar Refractivity 89.2393 cm3
Polarizability 35.05447 Å3 Polar Surface Area 42.24 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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