methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane

C10H13NOS — CID 11819997

IUPACmethyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane
SMILESC=CCN=S(C)(=O)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-3-9-11-13(2,12)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyYBYLLKGNFCETES-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.33
Rot. Bonds3

About methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane

methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane (PubChem CID 11819997) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane.

Molecular Properties

Compound Namemethyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane
PubChem CID11819997
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namemethyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane
SMILESC=CCN=S(C)(=O)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-3-9-11-13(2,12)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyYBYLLKGNFCETES-UHFFFAOYSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane?
The IUPAC name of methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane (CID 11819997) is methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane.
What is the SMILES notation for methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane?
The canonical SMILES for methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane is C=CCN=S(C)(=O)c1ccccc1.
What is the InChIKey of methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane?
The InChIKey is YBYLLKGNFCETES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-9-11-13(2,12)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3.
What are the key properties of methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane?
methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane has a molecular weight of 195.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-phenyl-prop-2-enylimino-lambda6-sulfane is sourced from PubChem (CID 11819997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).