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62031-97-4 molecular structure
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5-methyl-5-(thiophen-2-yl)imidazolidine-2,4-dione

ChemBase ID: 251989
Molecular Formular: C8H8N2O2S
Molecular Mass: 196.22632
Monoisotopic Mass: 196.03064851
SMILES and InChIs

SMILES:
C1(C(=O)NC(=O)N1)(c1sccc1)C
Canonical SMILES:
O=C1NC(=O)C(N1)(C)c1cccs1
InChI:
InChI=1S/C8H8N2O2S/c1-8(5-3-2-4-13-5)6(11)9-7(12)10-8/h2-4H,1H3,(H2,9,10,11,12)
InChIKey:
WDAZLLRXKDSCLR-UHFFFAOYSA-N

Cite this record

CBID:251989 http://www.chembase.cn/molecule-251989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
IUPAC Traditional name
5-methyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
Synonyms
5-methyl-5-thien-2-ylimidazolidine-2,4-dione
CAS Number
62031-97-4
MDL Number
MFCD08261050
PubChem SID
164307899
PubChem CID
233530

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-23858 external link Add to cart Please log in.
Data Source Data ID
PubChem 233530 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.767264  H Acceptors
H Donor LogD (pH = 5.5) 0.831833 
LogD (pH = 7.4) 0.83001715  Log P 0.8318562 
Molar Refractivity 47.0072 cm3 Polarizability 18.138535 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
137 - 139°C expand Show data source
Hydrophobicity(logP)
0.692 expand Show data source
Purity
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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