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383131-41-7 molecular structure
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4-chloro-6-methyl-1,3-benzothiazol-2-amine

ChemBase ID: 308418
Molecular Formular: C8H7ClN2S
Molecular Mass: 198.67258
Monoisotopic Mass: 198.00184691
SMILES and InChIs

SMILES:
n1c2c(sc1N)cc(cc2Cl)C
Canonical SMILES:
Cc1cc(Cl)c2c(c1)sc(n2)N
InChI:
InChI=1S/C8H7ClN2S/c1-4-2-5(9)7-6(3-4)12-8(10)11-7/h2-3H,1H3,(H2,10,11)
InChIKey:
UKZNGVGJUJBHEN-UHFFFAOYSA-N

Cite this record

CBID:308418 http://www.chembase.cn/molecule-308418.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-methyl-1,3-benzothiazol-2-amine
IUPAC Traditional name
4-chloro-6-methyl-1,3-benzothiazol-2-amine
Synonyms
4-chloro-6-methyl-1,3-benzothiazol-2-amine
CAS Number
383131-41-7
MDL Number
MFCD02664347

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) 3.0768454  LogD (pH = 7.4) 3.086142 
Log P 3.086262  Molar Refractivity 51.1484 cm3
Polarizability 20.400873 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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