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Molecule
ID:125129
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂H₄S₂
Molecular Mass
92.18316
Exact Mass
91.97544213
Charge
0
InChI
InChI=1S/C2H4S2/c1-3-2-4-1/h1-2H2
InChIKey
ITXACGPMGJCSKF-UHFFFAOYSA-N
Canonic Smiles
S1CSC1
Isomeric Smiles
S1CSC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.1872674
LogD (pH = 7.4)
1.1872674
Log P
1.1872674
Molar Refractivity
24.2316
Polarizability
9.820809
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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IUPAC name
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Data Source
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1,3-Dithietane
PubChem
136129
Names and Identifiers
IUPAC Traditional name
1,3-dithietane
IUPAC name
1,3-dithietane
Synonyms
1,3-Dithietane
Registration numbers
PubChem CID
136129
Wikipedia Title
1,3-Dithietane
CAS Number
287-53-6
Chemspider ID
119906
PubChem SID
162219479
Molecule Details
Wikipedia
1,3-Dithietane
References
PubChem Literature
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Bioactivity
PubChem BioAssay
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