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13461-16-0 molecular structure
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1,3-dimethylimidazolidine-2-thione

ChemBase ID: 798505
Molecular Formular: C5H10N2S
Molecular Mass: 130.2113
Monoisotopic Mass: 130.05646933
SMILES and InChIs

SMILES:
N1(C(=S)N(CC1)C)C
Canonical SMILES:
CN1CCN(C1=S)C
InChI:
InChI=1S/C5H10N2S/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
InChIKey:
FYHIXFCITOCVKH-UHFFFAOYSA-N

Cite this record

CBID:798505 http://www.chembase.cn/molecule-798505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dimethylimidazolidine-2-thione
IUPAC Traditional name
1,3-dimethylimidazolidine-2-thione
Synonyms
1,3-dimethylimidazolidine-2-thione
CAS Number
13461-16-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11405 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11405 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.24921504  LogD (pH = 7.4) 0.24921504 
Log P 0.24921504  Molar Refractivity 38.7513 cm3
Polarizability 14.92216 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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