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38240-21-0 molecular structure
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3-amino-1,2-dihydropyridine-2-thione

ChemBase ID: 294074
Molecular Formular: C5H6N2S
Molecular Mass: 126.17954
Monoisotopic Mass: 126.0251692
SMILES and InChIs

SMILES:
S=c1c(N)ccc[nH]1
Canonical SMILES:
S=c1[nH]cccc1N
InChI:
InChI=1S/C5H6N2S/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey:
ADMMJKIQWOJMSK-UHFFFAOYSA-N

Cite this record

CBID:294074 http://www.chembase.cn/molecule-294074.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-1,2-dihydropyridine-2-thione
IUPAC Traditional name
3-amino-1H-pyridine-2-thione
Synonyms
3-Aminopyridine-2(1H)-thione
CAS Number
38240-21-0
MDL Number
MFCD09757485
PubChem SID
180679605
PubChem CID
5463181

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD60760 Please log in.
Data Source Data ID
PubChem 5463181 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.545832  H Acceptors
H Donor LogD (pH = 5.5) 0.021620516 
LogD (pH = 7.4) 0.022437401  Log P 0.022726227 
Molar Refractivity 39.6611 cm3 Polarizability 14.448953 Å3
Polar Surface Area 38.05 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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