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214542-56-0 molecular structure
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2-methyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

ChemBase ID: 60268
Molecular Formular: C6H9N3S
Molecular Mass: 155.22076
Monoisotopic Mass: 155.0517183
SMILES and InChIs

SMILES:
c12c(n(nc1CSC2)C)N
Canonical SMILES:
Nc1n(C)nc2c1CSC2
InChI:
InChI=1S/C6H9N3S/c1-9-6(7)4-2-10-3-5(4)8-9/h2-3,7H2,1H3
InChIKey:
KGKMOASZDHGIJC-UHFFFAOYSA-N

Cite this record

CBID:60268 http://www.chembase.cn/molecule-60268.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine
IUPAC Traditional name
2-methyl-4H,6H-thieno[3,4-c]pyrazol-3-amine
Synonyms
2-Methyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-amine
2-methyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-amine
CAS Number
214542-56-0
MDL Number
MFCD18446979
PubChem SID
162026009
PubChem CID
45121297

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45121297 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.053006884  LogD (pH = 7.4) 0.05385425 
Log P 0.053865064  Molar Refractivity 54.5906 cm3
Polarizability 16.054573 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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