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1071346-94-5 molecular structure
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6-methyl-1,3-benzothiazole-2,4-diamine

ChemBase ID: 308844
Molecular Formular: C8H9N3S
Molecular Mass: 179.24216
Monoisotopic Mass: 179.0517183
SMILES and InChIs

SMILES:
n1c2c(sc1N)cc(cc2N)C
Canonical SMILES:
Cc1cc(N)c2c(c1)sc(n2)N
InChI:
InChI=1S/C8H9N3S/c1-4-2-5(9)7-6(3-4)12-8(10)11-7/h2-3H,9H2,1H3,(H2,10,11)
InChIKey:
ATMSLSAMHWYQBB-UHFFFAOYSA-N

Cite this record

CBID:308844 http://www.chembase.cn/molecule-308844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-1,3-benzothiazole-2,4-diamine
IUPAC Traditional name
6-methyl-1,3-benzothiazole-2,4-diamine
Synonyms
6-methyl-1,3-benzothiazole-2,4-diamine
CAS Number
1071346-94-5
MDL Number
MFCD11695879

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) 1.4967479  LogD (pH = 7.4) 1.6508853 
Log P 1.6532912  Molar Refractivity 51.044 cm3
Polarizability 19.633806 Å3 Polar Surface Area 64.93 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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