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Molecule
ID:135292
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General Information
Structure
Molecular Formula
C₂H₆OS
Molecular Mass
78.11204
Exact Mass
78.01393581
Charge
0
InChI
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1+0,2+0
InChIKey
IAZDPXIOMUYVGZ-ZCWHFVSRSA-N
Canonic Smiles
[12CH3]S(=O)[12CH3]
Isomeric Smiles
[12CH3]S(=O)[12CH3]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.4078656
LogD (pH = 7.4)
-1.4078656
Log P
-1.4078656
Molar Refractivity
20.7254
Polarizability
8.039938
Polar Surface Area
17.07
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
No Data Available
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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
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC name
•
Synonyms
•
IUPAC Traditional name
Registration numbers
•
MDL Number
•
PubChem SID
•
PubChem CID
Properties
•
Product Information
•
Physical Property
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
606987
Academic Data
PubChem
71309204
Names and Identifiers
IUPAC name
(
1
2
C)methanesulfinyl(
1
2
C)methane
Synonyms
Dimethyl sulfoxide-12C2
二甲基亚砜-12C2
IUPAC Traditional name
(
1
2
C)methanesulfinyl(
1
2
C)methane
Registration numbers
MDL Number
MFCD04113749
PubChem SID
162229567
PubChem CID
71309204
Molecule Details
Sigma Aldrich
606987
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Product Information
Description
13C-depleted
Source
Linear Formula
(12CH3)2SO
Source
Isotopic Purity
99.95 atom % 12C
Source
Mol. Weight
mol wt 78.13 by atom % calculation
Source
Physical Property
Boiling Point
189 °C(lit.)
Source
18.4 °C(lit.)
Source
depleted
Source
Safety Information
Download link
Source
1
Source
Melting Point
Mass Shift
MSDS Link
German water hazard class