deuterio(methylsulfinyl)methane

C2H6OS — CID 18594457

IUPACdeuterio(methylsulfinyl)methane
SMILES[2H]CS(C)=O
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D
InChIKeyIAZDPXIOMUYVGZ-MICDWDOJSA-N
MW79.14 g/mol
LogP-0.01
Rot. Bonds1

About deuterio(methylsulfinyl)methane

deuterio(methylsulfinyl)methane (PubChem CID 18594457) has the molecular formula C2H6OS and a molecular weight of 79.14 g/mol. Its IUPAC name is deuterio(methylsulfinyl)methane.

Molecular Properties

Compound Namedeuterio(methylsulfinyl)methane
PubChem CID18594457
Molecular FormulaC2H6OS
Molecular Weight79.14 g/mol
Exact Mass79.02
IUPAC Namedeuterio(methylsulfinyl)methane
SMILES[2H]CS(C)=O
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D
InChIKeyIAZDPXIOMUYVGZ-MICDWDOJSA-N
XLogP-0.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of deuterio(methylsulfinyl)methane?
The IUPAC name of deuterio(methylsulfinyl)methane (CID 18594457) is deuterio(methylsulfinyl)methane.
What is the SMILES notation for deuterio(methylsulfinyl)methane?
The canonical SMILES for deuterio(methylsulfinyl)methane is [2H]CS(C)=O.
What is the InChIKey of deuterio(methylsulfinyl)methane?
The InChIKey is IAZDPXIOMUYVGZ-MICDWDOJSA-N. The full InChI is InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D.
What are the key properties of deuterio(methylsulfinyl)methane?
deuterio(methylsulfinyl)methane has a molecular weight of 79.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(methylsulfinyl)methane is sourced from PubChem (CID 18594457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).