imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane

C5H17NO3S2 — CID 161332571

IUPACimino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane
SMILESCO.CS(C)=O.[H]N=S(C)(C)=O
InChIInChI=1S/C2H7NOS.C2H6OS.CH4O/c1-5(2,3)4;1-4(2)3;1-2/h3H,1-2H3;1-2H3;2H,1H3
InChIKeyVLPREYPLQRIGED-UHFFFAOYSA-N
MW203.33 g/mol
LogP-0.10
Rot. Bonds

About imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane

imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane (PubChem CID 161332571) has the molecular formula C5H17NO3S2 and a molecular weight of 203.33 g/mol. Its IUPAC name is imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane.

Molecular Properties

Compound Nameimino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane
PubChem CID161332571
Molecular FormulaC5H17NO3S2
Molecular Weight203.33 g/mol
Exact Mass203.06
IUPAC Nameimino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane
SMILESCO.CS(C)=O.[H]N=S(C)(C)=O
InChIInChI=1S/C2H7NOS.C2H6OS.CH4O/c1-5(2,3)4;1-4(2)3;1-2/h3H,1-2H3;1-2H3;2H,1H3
InChIKeyVLPREYPLQRIGED-UHFFFAOYSA-N
XLogP-0.10
TPSA78.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane?
The IUPAC name of imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane (CID 161332571) is imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane.
What is the SMILES notation for imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane?
The canonical SMILES for imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane is CO.CS(C)=O.[H]N=S(C)(C)=O.
What is the InChIKey of imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane?
The InChIKey is VLPREYPLQRIGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS.C2H6OS.CH4O/c1-5(2,3)4;1-4(2)3;1-2/h3H,1-2H3;1-2H3;2H,1H3.
What are the key properties of imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane?
imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane has a molecular weight of 203.33 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-dimethyl-oxo-λ6-sulfane;methanol;methylsulfinylmethane is sourced from PubChem (CID 161332571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).