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34771-04-5 molecular structure
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6-hydrazinyl-2-methyl-1,3-benzothiazole

ChemBase ID: 307124
Molecular Formular: C8H9N3S
Molecular Mass: 179.24216
Monoisotopic Mass: 179.0517183
SMILES and InChIs

SMILES:
n1c(sc2c1ccc(c2)NN)C
Canonical SMILES:
NNc1ccc2c(c1)sc(n2)C
InChI:
InChI=1S/C8H9N3S/c1-5-10-7-3-2-6(11-9)4-8(7)12-5/h2-4,11H,9H2,1H3
InChIKey:
MWCLWAXPDLPJEU-UHFFFAOYSA-N

Cite this record

CBID:307124 http://www.chembase.cn/molecule-307124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-hydrazinyl-2-methyl-1,3-benzothiazole
IUPAC Traditional name
6-hydrazinyl-2-methyl-1,3-benzothiazole
Synonyms
6-hydrazino-2-methyl-1,3-benzothiazole
CAS Number
34771-04-5
MDL Number
MFCD09971170

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4814562  LogD (pH = 7.4) 1.6260049 
Log P 1.6281791  Molar Refractivity 51.2761 cm3
Polarizability 19.926792 Å3 Polar Surface Area 50.94 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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