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612499-04-4 molecular structure
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(5-bromothiophen-2-yl)methanamine

ChemBase ID: 261654
Molecular Formular: C5H6BrNS
Molecular Mass: 192.07684
Monoisotopic Mass: 190.9404322
SMILES and InChIs

SMILES:
s1c(ccc1CN)Br
Canonical SMILES:
NCc1ccc(s1)Br
InChI:
InChI=1S/C5H6BrNS/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
InChIKey:
RAVKMGSIHFLQJU-UHFFFAOYSA-N

Cite this record

CBID:261654 http://www.chembase.cn/molecule-261654.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-bromothiophen-2-yl)methanamine
IUPAC Traditional name
(5-bromothiophen-2-yl)methanamine
Synonyms
(5-bromothiophen-2-yl)methanamine
5-BROMOTHIOPHEN-2-YLMETHYLAMINE
1-(5-bromo-2-thienyl)methanamine
CAS Number
612499-04-4
MDL Number
MFCD06213820
PubChem SID
164317564
PubChem CID
23130577

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23130577 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8568736  LogD (pH = 7.4) 0.64325786 
Log P 1.9466442  Molar Refractivity 38.204 cm3
Polarizability 15.276977 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.645 expand Show data source
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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