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64334-41-4 molecular structure
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6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine

ChemBase ID: 308397
Molecular Formular: C9H11N3S
Molecular Mass: 193.26874
Monoisotopic Mass: 193.06736837
SMILES and InChIs

SMILES:
c1(nc2c(s1)cc(N(C)C)cc2)N
Canonical SMILES:
Nc1nc2c(s1)cc(cc2)N(C)C
InChI:
InChI=1S/C9H11N3S/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11)
InChIKey:
DCUFLOLNQPJBDW-UHFFFAOYSA-N

Cite this record

CBID:308397 http://www.chembase.cn/molecule-308397.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
IUPAC Traditional name
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
Synonyms
N~6~,N~6~-dimethyl-1,3-benzothiazole-2,6-diamine
CAS Number
64334-41-4
MDL Number
MFCD00616519

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) 1.9220581  LogD (pH = 7.4) 2.0744715 
Log P 2.0768397  Molar Refractivity 55.731 cm3
Polarizability 21.55359 Å3 Polar Surface Area 42.15 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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