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616-46-6 molecular structure
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thiophen-2-amine

ChemBase ID: 294340
Molecular Formular: C4H5NS
Molecular Mass: 99.1542
Monoisotopic Mass: 99.01427017
SMILES and InChIs

SMILES:
Nc1cccs1
Canonical SMILES:
Nc1cccs1
InChI:
InChI=1S/C4H5NS/c5-4-2-1-3-6-4/h1-3H,5H2
InChIKey:
GLQWRXYOTXRDNH-UHFFFAOYSA-N

Cite this record

CBID:294340 http://www.chembase.cn/molecule-294340.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thiophen-2-amine
IUPAC Traditional name
thiophen-2-amine
Synonyms
Thiophen-2-amine
2-AMINOTHIOPHENE
CAS Number
616-46-6
27757-85-3
PubChem SID
180679871
PubChem CID
97373

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 97373 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0907577  LogD (pH = 7.4) 1.0907577 
Log P 1.0907577  Molar Refractivity 27.0241 cm3
Polarizability 10.116028 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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