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81289-15-8 molecular structure
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2-(thiophen-2-yl)propan-2-amine

ChemBase ID: 276146
Molecular Formular: C7H11NS
Molecular Mass: 141.23394
Monoisotopic Mass: 141.06122036
SMILES and InChIs

SMILES:
c1(sccc1)C(N)(C)C
Canonical SMILES:
CC(c1cccs1)(N)C
InChI:
InChI=1S/C7H11NS/c1-7(2,8)6-4-3-5-9-6/h3-5H,8H2,1-2H3
InChIKey:
JYFAHQAWCKSUOU-UHFFFAOYSA-N

Cite this record

CBID:276146 http://www.chembase.cn/molecule-276146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-2-yl)propan-2-amine
IUPAC Traditional name
2-(thiophen-2-yl)propan-2-amine
Synonyms
2-(thiophen-2-yl)propan-2-amine
CAS Number
81289-15-8
MDL Number
MFCD11581284
PubChem SID
164332056
PubChem CID
45099

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45099 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.268615  LogD (pH = 7.4) -0.2554156 
Log P 1.7090473  Molar Refractivity 40.4783 cm3
Polarizability 16.02592 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)
1.448 expand Show data source
Purity
95% expand Show data source
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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