methylimino(sulfanylidene)methane;propanoic acid

C5H9NO2S — CID 158813678

IUPACmethylimino(sulfanylidene)methane;propanoic acid
SMILESCCC(=O)O.CN=C=S
InChIInChI=1S/C3H6O2.C2H3NS/c1-2-3(4)5;1-3-2-4/h2H2,1H3,(H,4,5);1H3
InChIKeyIUZPWSFJNRFVBV-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.20
Rot. Bonds1

About methylimino(sulfanylidene)methane;propanoic acid

methylimino(sulfanylidene)methane;propanoic acid (PubChem CID 158813678) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is methylimino(sulfanylidene)methane;propanoic acid.

Molecular Properties

Compound Namemethylimino(sulfanylidene)methane;propanoic acid
PubChem CID158813678
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Namemethylimino(sulfanylidene)methane;propanoic acid
SMILESCCC(=O)O.CN=C=S
InChIInChI=1S/C3H6O2.C2H3NS/c1-2-3(4)5;1-3-2-4/h2H2,1H3,(H,4,5);1H3
InChIKeyIUZPWSFJNRFVBV-UHFFFAOYSA-N
XLogP1.20
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methylimino(sulfanylidene)methane;propanoic acid?
The IUPAC name of methylimino(sulfanylidene)methane;propanoic acid (CID 158813678) is methylimino(sulfanylidene)methane;propanoic acid.
What is the SMILES notation for methylimino(sulfanylidene)methane;propanoic acid?
The canonical SMILES for methylimino(sulfanylidene)methane;propanoic acid is CCC(=O)O.CN=C=S.
What is the InChIKey of methylimino(sulfanylidene)methane;propanoic acid?
The InChIKey is IUZPWSFJNRFVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H3NS/c1-2-3(4)5;1-3-2-4/h2H2,1H3,(H,4,5);1H3.
What are the key properties of methylimino(sulfanylidene)methane;propanoic acid?
methylimino(sulfanylidene)methane;propanoic acid has a molecular weight of 147.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(sulfanylidene)methane;propanoic acid is sourced from PubChem (CID 158813678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).