2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen

C7H18N2S — CID 142227893

IUPAC2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen
SMILESCC.CSCCC(N)C#N.[H][H]
InChIInChI=1S/C5H10N2S.C2H6.H2/c1-8-3-2-5(7)4-6;1-2;/h5H,2-3,7H2,1H3;1-2H3;1H
InChIKeyFTJJAZMLBIHHIM-UHFFFAOYSA-N
MW162.30 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen

2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen (PubChem CID 142227893) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen
PubChem CID142227893
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC Name2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen
SMILESCC.CSCCC(N)C#N.[H][H]
InChIInChI=1S/C5H10N2S.C2H6.H2/c1-8-3-2-5(7)4-6;1-2;/h5H,2-3,7H2,1H3;1-2H3;1H
InChIKeyFTJJAZMLBIHHIM-UHFFFAOYSA-N
XLogP1.86
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen?
The IUPAC name of 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen (CID 142227893) is 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen?
The canonical SMILES for 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen is CC.CSCCC(N)C#N.[H][H].
What is the InChIKey of 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen?
The InChIKey is FTJJAZMLBIHHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S.C2H6.H2/c1-8-3-2-5(7)4-6;1-2;/h5H,2-3,7H2,1H3;1-2H3;1H.
What are the key properties of 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen?
2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen has a molecular weight of 162.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanenitrile;ethane;molecular hydrogen is sourced from PubChem (CID 142227893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).