bis(acetonitrile);methylsulfinylmethane

C6H12N2OS — CID 159795126

IUPACbis(acetonitrile);methylsulfinylmethane
SMILESCC#N.CC#N.CS(C)=O
InChIInChI=1S/2C2H3N.C2H6OS/c2*1-2-3;1-4(2)3/h2*1H3;1-2H3
InChIKeyNJBKFKUKHCZXKW-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.05
Rot. Bonds

About bis(acetonitrile);methylsulfinylmethane

bis(acetonitrile);methylsulfinylmethane (PubChem CID 159795126) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is bis(acetonitrile);methylsulfinylmethane.

Molecular Properties

Compound Namebis(acetonitrile);methylsulfinylmethane
PubChem CID159795126
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Namebis(acetonitrile);methylsulfinylmethane
SMILESCC#N.CC#N.CS(C)=O
InChIInChI=1S/2C2H3N.C2H6OS/c2*1-2-3;1-4(2)3/h2*1H3;1-2H3
InChIKeyNJBKFKUKHCZXKW-UHFFFAOYSA-N
XLogP1.05
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);methylsulfinylmethane?
The IUPAC name of bis(acetonitrile);methylsulfinylmethane (CID 159795126) is bis(acetonitrile);methylsulfinylmethane.
What is the SMILES notation for bis(acetonitrile);methylsulfinylmethane?
The canonical SMILES for bis(acetonitrile);methylsulfinylmethane is CC#N.CC#N.CS(C)=O.
What is the InChIKey of bis(acetonitrile);methylsulfinylmethane?
The InChIKey is NJBKFKUKHCZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3N.C2H6OS/c2*1-2-3;1-4(2)3/h2*1H3;1-2H3.
What are the key properties of bis(acetonitrile);methylsulfinylmethane?
bis(acetonitrile);methylsulfinylmethane has a molecular weight of 160.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);methylsulfinylmethane is sourced from PubChem (CID 159795126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).