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7405-23-4 molecular structure
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1,3-benzothiazol-4-ol

ChemBase ID: 294457
Molecular Formular: C7H5NOS
Molecular Mass: 151.1857
Monoisotopic Mass: 151.00918479
SMILES and InChIs

SMILES:
Oc1cccc2c1ncs2
Canonical SMILES:
Oc1cccc2c1ncs2
InChI:
InChI=1S/C7H5NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H
InChIKey:
NZFKDDMHHUEVPI-UHFFFAOYSA-N

Cite this record

CBID:294457 http://www.chembase.cn/molecule-294457.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-benzothiazol-4-ol
IUPAC Traditional name
4-benzothiazolol
Synonyms
Benzo[d]thiazol-4-ol
CAS Number
7405-23-4
MDL Number
MFCD11046398
PubChem SID
180679988
PubChem CID
81901

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD94368 Please log in.
Data Source Data ID
PubChem 81901 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.156842  H Acceptors
H Donor LogD (pH = 5.5) 1.8089143 
LogD (pH = 7.4) 1.7404333  Log P 1.8099065 
Molar Refractivity 39.1096 cm3 Polarizability 16.221224 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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