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92303-09-8 molecular structure
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2-hydroxy-6-methylpyridine-3-carbothioamide

ChemBase ID: 298062
Molecular Formular: C7H8N2OS
Molecular Mass: 168.21622
Monoisotopic Mass: 168.03573389
SMILES and InChIs

SMILES:
Cc1ccc(c(n1)O)C(=S)N
Canonical SMILES:
Cc1ccc(c(n1)O)C(=S)N
InChI:
InChI=1S/C7H8N2OS/c1-4-2-3-5(6(8)11)7(10)9-4/h2-3H,1H3,(H2,8,11)(H,9,10)
InChIKey:
FOBPPQORLVORNB-UHFFFAOYSA-N

Cite this record

CBID:298062 http://www.chembase.cn/molecule-298062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-6-methylpyridine-3-carbothioamide
IUPAC Traditional name
2-hydroxy-6-methylpyridine-3-carbothioamide
Synonyms
2-Hydroxy-6-methylpyridine-3-thiocarboxamide, 97%
2-Hydroxy-6-methylthionicotinamide
2-羟基-6-甲基硫代烟酰胺
CAS Number
92303-09-8
MDL Number
MFCD00219002
PubChem SID
180683593
PubChem CID
2807454

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 2807454 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.564807  H Acceptors
H Donor LogD (pH = 5.5) 1.5679026 
LogD (pH = 7.4) 1.5682793  Log P 1.5683457 
Molar Refractivity 47.8563 cm3 Polarizability 18.008854 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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