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83060-73-5 molecular structure
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3-amino-5-methylthiophene-2-carbonitrile

ChemBase ID: 806163
Molecular Formular: C6H6N2S
Molecular Mass: 138.19024
Monoisotopic Mass: 138.0251692
SMILES and InChIs

SMILES:
s1c(c(cc1C)N)C#N
Canonical SMILES:
N#Cc1sc(cc1N)C
InChI:
InChI=1S/C6H6N2S/c1-4-2-5(8)6(3-7)9-4/h2H,8H2,1H3
InChIKey:
QRYUNVRWSZIEDZ-UHFFFAOYSA-N

Cite this record

CBID:806163 http://www.chembase.cn/molecule-806163.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-5-methylthiophene-2-carbonitrile
IUPAC Traditional name
3-amino-5-methylthiophene-2-carbonitrile
Synonyms
3-AMINO-5-METHYL-THIOPHENE-2-CARBONITRILE
CAS Number
83060-73-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23493 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23493 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5591582  LogD (pH = 7.4) 1.5591582 
Log P 1.5591582  Molar Refractivity 38.4262 cm3
Polarizability 13.725734 Å3 Polar Surface Area 49.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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