2-aminoethanol;methylsulfanylmethane

C4H13NOS — CID 172724193

IUPAC2-aminoethanol;methylsulfanylmethane
SMILESCSC.NCCO
InChIInChI=1S/C2H7NO.C2H6S/c3-1-2-4;1-3-2/h4H,1-3H2;1-2H3
InChIKeyGXOLPDOUEFQMIO-UHFFFAOYSA-N
MW123.22 g/mol
LogP-0.08
Rot. Bonds1

About 2-aminoethanol;methylsulfanylmethane

2-aminoethanol;methylsulfanylmethane (PubChem CID 172724193) has the molecular formula C4H13NOS and a molecular weight of 123.22 g/mol. Its IUPAC name is 2-aminoethanol;methylsulfanylmethane.

Molecular Properties

Compound Name2-aminoethanol;methylsulfanylmethane
PubChem CID172724193
Molecular FormulaC4H13NOS
Molecular Weight123.22 g/mol
Exact Mass123.07
IUPAC Name2-aminoethanol;methylsulfanylmethane
SMILESCSC.NCCO
InChIInChI=1S/C2H7NO.C2H6S/c3-1-2-4;1-3-2/h4H,1-3H2;1-2H3
InChIKeyGXOLPDOUEFQMIO-UHFFFAOYSA-N
XLogP-0.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;methylsulfanylmethane?
The IUPAC name of 2-aminoethanol;methylsulfanylmethane (CID 172724193) is 2-aminoethanol;methylsulfanylmethane.
What is the SMILES notation for 2-aminoethanol;methylsulfanylmethane?
The canonical SMILES for 2-aminoethanol;methylsulfanylmethane is CSC.NCCO.
What is the InChIKey of 2-aminoethanol;methylsulfanylmethane?
The InChIKey is GXOLPDOUEFQMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.C2H6S/c3-1-2-4;1-3-2/h4H,1-3H2;1-2H3.
What are the key properties of 2-aminoethanol;methylsulfanylmethane?
2-aminoethanol;methylsulfanylmethane has a molecular weight of 123.22 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;methylsulfanylmethane is sourced from PubChem (CID 172724193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).