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2,2'-Thiobis(ethanol)-13C4

CAT: 0572-TRC-T264842-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T264842-50MGSize:50 mg
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CAS Number
138847-50-4
Synonyms
2,2'-Thiobis(ethan-1-ol-1,2-13C2)
Hazard Statement
No Data Available
Smiles
O[13CH2][13CH2]S[13CH2][13CH2]O
Molecular Formula
13C4H10O2S
Molecular Weight
126.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-(2-Hydroxy(1,2-13C2)ethylsulfanyl)(1,2-13C2)ethanol
CAS Number138847-50-4
PubChem CID12415665
IUPAC Name2-(2-hydroxy(1,2-13C2)ethylsulfanyl)(1,2-13C2)ethanol
Molecular FormulaC4H10O2S
Molecular Weight126.16
XLogP-0.6
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity28
SMILES
[13CH2]([13CH2]S[13CH2][13CH2]O)O
InChI
InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2/i1+1,2+1,3+1,4+1
InChIKey
YODZTKMDCQEPHD-JCDJMFQYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Hydroxy(1,2-13C2)ethylsulfanyl)(1,2-13C2)ethanol
CAS: 138847-50-4
CID: 12415665
Formula: C4H10O2S
MW: 126.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.16
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass126.05357007
Monoisotopic Mass126.05357007
Topological Polar Surface Area65.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity28.9
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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