ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane

C13H25NOS — CID 143717501

IUPACethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
SMILESC=O.CC.CNCc1ccccc1.CSC
InChIInChI=1S/C8H11N.C2H6S.C2H6.CH2O/c1-9-7-8-5-3-2-4-6-8;1-3-2;2*1-2/h2-6,9H,7H2,1H3;1-2H3;1-2H3;1H2
InChIKeyOEPQMRUVMNTSIF-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.23
Rot. Bonds2

About ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane

ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane (PubChem CID 143717501) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane.

Molecular Properties

Compound Nameethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
PubChem CID143717501
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Nameethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
SMILESC=O.CC.CNCc1ccccc1.CSC
InChIInChI=1S/C8H11N.C2H6S.C2H6.CH2O/c1-9-7-8-5-3-2-4-6-8;1-3-2;2*1-2/h2-6,9H,7H2,1H3;1-2H3;1-2H3;1H2
InChIKeyOEPQMRUVMNTSIF-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane?
The IUPAC name of ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane (CID 143717501) is ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane.
What is the SMILES notation for ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane?
The canonical SMILES for ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane is C=O.CC.CNCc1ccccc1.CSC.
What is the InChIKey of ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane?
The InChIKey is OEPQMRUVMNTSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H6S.C2H6.CH2O/c1-9-7-8-5-3-2-4-6-8;1-3-2;2*1-2/h2-6,9H,7H2,1H3;1-2H3;1-2H3;1H2.
What are the key properties of ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane?
ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane has a molecular weight of 243.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane is sourced from PubChem (CID 143717501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).