ethylimino-methyl-oxo-phenyl-λ6-sulfane

C9H13NOS — CID 12033917

IUPACethylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESCCN=S(C)(=O)c1ccccc1
InChIInChI=1S/C9H13NOS/c1-3-10-12(2,11)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyWNRVBXFWHZBQIL-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.16
Rot. Bonds2

About ethylimino-methyl-oxo-phenyl-λ6-sulfane

ethylimino-methyl-oxo-phenyl-λ6-sulfane (PubChem CID 12033917) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is ethylimino-methyl-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Nameethylimino-methyl-oxo-phenyl-λ6-sulfane
PubChem CID12033917
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Nameethylimino-methyl-oxo-phenyl-λ6-sulfane
SMILESCCN=S(C)(=O)c1ccccc1
InChIInChI=1S/C9H13NOS/c1-3-10-12(2,11)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyWNRVBXFWHZBQIL-UHFFFAOYSA-N
XLogP2.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylimino-methyl-oxo-phenyl-λ6-sulfane?
The IUPAC name of ethylimino-methyl-oxo-phenyl-λ6-sulfane (CID 12033917) is ethylimino-methyl-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for ethylimino-methyl-oxo-phenyl-λ6-sulfane?
The canonical SMILES for ethylimino-methyl-oxo-phenyl-λ6-sulfane is CCN=S(C)(=O)c1ccccc1.
What is the InChIKey of ethylimino-methyl-oxo-phenyl-λ6-sulfane?
The InChIKey is WNRVBXFWHZBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-10-12(2,11)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3.
What are the key properties of ethylimino-methyl-oxo-phenyl-λ6-sulfane?
ethylimino-methyl-oxo-phenyl-λ6-sulfane has a molecular weight of 183.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylimino-methyl-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 12033917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).