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228413-64-7 molecular structure
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4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine

ChemBase ID: 311526
Molecular Formular: C10H8Cl2N2S
Molecular Mass: 259.15492
Monoisotopic Mass: 257.97852463
SMILES and InChIs

SMILES:
c1(nc(sc1C)N)c1cc(c(cc1)Cl)Cl
Canonical SMILES:
Nc1sc(c(n1)c1ccc(c(c1)Cl)Cl)C
InChI:
InChI=1S/C10H8Cl2N2S/c1-5-9(14-10(13)15-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,14)
InChIKey:
QENQRTUPUKKHLA-UHFFFAOYSA-N

Cite this record

CBID:311526 http://www.chembase.cn/molecule-311526.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
Synonyms
4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CAS Number
228413-64-7
MDL Number
MFCD08691763

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) 4.3229146  LogD (pH = 7.4) 4.3736987 
Log P 4.3743887  Molar Refractivity 64.8702 cm3
Polarizability 25.720112 Å3 Polar Surface Area 38.91 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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