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933852-41-6 molecular structure
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2-(4,5-dimethylthiophen-3-yl)ethan-1-amine

ChemBase ID: 308300
Molecular Formular: C8H13NS
Molecular Mass: 155.26052
Monoisotopic Mass: 155.07687042
SMILES and InChIs

SMILES:
s1c(c(c(c1)CCN)C)C
Canonical SMILES:
Cc1c(CCN)csc1C
InChI:
InChI=1S/C8H13NS/c1-6-7(2)10-5-8(6)3-4-9/h5H,3-4,9H2,1-2H3
InChIKey:
MDVMPJVPHAZSJE-UHFFFAOYSA-N

Cite this record

CBID:308300 http://www.chembase.cn/molecule-308300.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4,5-dimethylthiophen-3-yl)ethan-1-amine
IUPAC Traditional name
2-(4,5-dimethylthiophen-3-yl)ethanamine
Synonyms
2-(4,5-dimethyl-3-thienyl)ethanamine
CAS Number
933852-41-6
MDL Number
MFCD11053951

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.67734677  LogD (pH = 7.4) 0.096103035 
Log P 2.3273995  Molar Refractivity 46.4897 cm3
Polarizability 17.619768 Å3 Polar Surface Area 26.02 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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