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915922-24-6 molecular structure
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5-(5-methylthiophen-3-yl)-1,3,4-oxadiazol-2-amine

ChemBase ID: 311177
Molecular Formular: C7H7N3OS
Molecular Mass: 181.21498
Monoisotopic Mass: 181.03098286
SMILES and InChIs

SMILES:
c1(c2cc(sc2)C)oc(nn1)N
Canonical SMILES:
Nc1nnc(o1)c1csc(c1)C
InChI:
InChI=1S/C7H7N3OS/c1-4-2-5(3-12-4)6-9-10-7(8)11-6/h2-3H,1H3,(H2,8,10)
InChIKey:
QMGRQOMIDRJTIO-UHFFFAOYSA-N

Cite this record

CBID:311177 http://www.chembase.cn/molecule-311177.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(5-methylthiophen-3-yl)-1,3,4-oxadiazol-2-amine
IUPAC Traditional name
5-(5-methylthiophen-3-yl)-1,3,4-oxadiazol-2-amine
Synonyms
5-(5-methyl-3-thienyl)-1,3,4-oxadiazol-2-amine
CAS Number
915922-24-6
MDL Number
MFCD08691743

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) 1.2610824  LogD (pH = 7.4) 1.2610809 
Log P 1.2610826  Molar Refractivity 58.421 cm3
Polarizability 17.336054 Å3 Polar Surface Area 64.94 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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