N-methyl-5-phenyl-1,3-oxathiol-2-imine

C10H9NOS — CID 14322077

IUPACN-methyl-5-phenyl-1,3-oxathiol-2-imine
SMILESC/N=c1/oc(-c2ccccc2)cs1
InChIInChI=1S/C10H9NOS/c1-11-10-12-9(7-13-10)8-5-3-2-4-6-8/h2-7H,1H3/b11-10-
InChIKeyVEEXAPHSZYGDOU-KHPPLWFESA-N
MW191.25 g/mol
LogP2.54
Rot. Bonds1

About N-methyl-5-phenyl-1,3-oxathiol-2-imine

N-methyl-5-phenyl-1,3-oxathiol-2-imine (PubChem CID 14322077) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is N-methyl-5-phenyl-1,3-oxathiol-2-imine.

Molecular Properties

Compound NameN-methyl-5-phenyl-1,3-oxathiol-2-imine
PubChem CID14322077
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC NameN-methyl-5-phenyl-1,3-oxathiol-2-imine
SMILESC/N=c1/oc(-c2ccccc2)cs1
InChIInChI=1S/C10H9NOS/c1-11-10-12-9(7-13-10)8-5-3-2-4-6-8/h2-7H,1H3/b11-10-
InChIKeyVEEXAPHSZYGDOU-KHPPLWFESA-N
XLogP2.54
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-5-phenyl-1,3-oxathiol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-1,3-oxathiol-2-imine?
The IUPAC name of N-methyl-5-phenyl-1,3-oxathiol-2-imine (CID 14322077) is N-methyl-5-phenyl-1,3-oxathiol-2-imine.
What is the SMILES notation for N-methyl-5-phenyl-1,3-oxathiol-2-imine?
The canonical SMILES for N-methyl-5-phenyl-1,3-oxathiol-2-imine is C/N=c1/oc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-5-phenyl-1,3-oxathiol-2-imine?
The InChIKey is VEEXAPHSZYGDOU-KHPPLWFESA-N. The full InChI is InChI=1S/C10H9NOS/c1-11-10-12-9(7-13-10)8-5-3-2-4-6-8/h2-7H,1H3/b11-10-.
What are the key properties of N-methyl-5-phenyl-1,3-oxathiol-2-imine?
N-methyl-5-phenyl-1,3-oxathiol-2-imine has a molecular weight of 191.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-1,3-oxathiol-2-imine is sourced from PubChem (CID 14322077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).