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MFCD08165819 molecular structure
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2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethan-1-amine

ChemBase ID: 92921
Molecular Formular: C10H11NO2S3
Molecular Mass: 273.39484
Monoisotopic Mass: 272.9951916
SMILES and InChIs

SMILES:
s1cccc1S(=O)(=O)C(c1cccs1)CN
Canonical SMILES:
NCC(S(=O)(=O)c1cccs1)c1cccs1
InChI:
InChI=1S/C10H11NO2S3/c11-7-9(8-3-1-5-14-8)16(12,13)10-4-2-6-15-10/h1-6,9H,7,11H2
InChIKey:
RGRQKPJZDCSIAM-UHFFFAOYSA-N

Cite this record

CBID:92921 http://www.chembase.cn/molecule-92921.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethan-1-amine
IUPAC Traditional name
2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethanamine
Synonyms
2-(2-Thienyl)-2-(2-thienylsulphonyl)ethylamine
MDL Number
MFCD08165819
PubChem SID
162079619
PubChem CID
16641341

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 16641341 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.11188  H Acceptors
H Donor LogD (pH = 5.5) -0.2157355 
LogD (pH = 7.4) 1.4598256  Log P 1.9645084 
Molar Refractivity 65.077 cm3 Polarizability 26.65908 Å3
Polar Surface Area 60.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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