methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane

C10H13NOS — CID 11264047

IUPACmethyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane
SMILESC=C(C)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-9(2)11-13(3,12)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyRHIXNFHQVAPNJX-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.68
Rot. Bonds2

About methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane

methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane (PubChem CID 11264047) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane.

Molecular Properties

Compound Namemethyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane
PubChem CID11264047
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namemethyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane
SMILESC=C(C)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-9(2)11-13(3,12)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyRHIXNFHQVAPNJX-UHFFFAOYSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane with MolForge

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

Launch Full Analysis

Related Compounds

Methyl phenyl sulfoxide
CID 14516
Phenyl vinyl sulphoxide
CID 88544
N-Methyl-S,S-diphenylsulfoximine
CID 374284
Ethylphenylsulfoxide
CID 138143
(R)-methyl phenyl sulfoxide
CID 11410727
(R)-(-)-S-Methyl-S-phenylsulfoximine
CID 25036286
(S)-(+)-N,S-Dimethyl-S-phenylsulfoximine
CID 25037842
Benzene, [(S)-methylsulfinyl]-
CID 11040784
(Methylsulfonimidoyl)benzene
CID 290021
Methyl(methylimino)(phenyl)-lambda6-sulfanone
CID 519772
Propan-2-ylsulfinylbenzene
CID 330158
(Propylsulfinyl)benzene
CID 778847

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane?
The IUPAC name of methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane (CID 11264047) is methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane.
What is the SMILES notation for methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane?
The canonical SMILES for methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane is C=C(C)N=S(C)(=O)c1ccccc1.
What is the InChIKey of methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane?
The InChIKey is RHIXNFHQVAPNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-9(2)11-13(3,12)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3.
What are the key properties of methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane?
methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane has a molecular weight of 195.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-phenyl-prop-1-en-2-ylimino-λ6-sulfane is sourced from PubChem (CID 11264047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).