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53473-85-1 molecular structure
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1,2-benzothiazol-5-amine

ChemBase ID: 309727
Molecular Formular: C7H6N2S
Molecular Mass: 150.20094
Monoisotopic Mass: 150.0251692
SMILES and InChIs

SMILES:
n1sc2c(c1)cc(N)cc2
Canonical SMILES:
Nc1ccc2c(c1)cns2
InChI:
InChI=1S/C7H6N2S/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2
InChIKey:
LPUJHVNRGNTQPL-UHFFFAOYSA-N

Cite this record

CBID:309727 http://www.chembase.cn/molecule-309727.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-benzothiazol-5-amine
IUPAC Traditional name
1,2-benzothiazol-5-amine
Synonyms
1,2-benzisothiazol-5-amine
CAS Number
53473-85-1
MDL Number
MFCD01658890

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) 1.2059999  LogD (pH = 7.4) 1.2094717 
Log P 1.2095162  Molar Refractivity 42.9337 cm3
Polarizability 16.773981 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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