methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane

C12H17NOS — CID 11287516

IUPACmethyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane
SMILESCC(C)=C(C)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(2)11(3)13-15(4,14)12-8-6-5-7-9-12/h5-9H,1-4H3
InChIKeyFMHITUBUKOGEFI-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.46
Rot. Bonds2

About methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane

methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane (PubChem CID 11287516) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane.

Molecular Properties

Compound Namemethyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane
PubChem CID11287516
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Namemethyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane
SMILESCC(C)=C(C)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(2)11(3)13-15(4,14)12-8-6-5-7-9-12/h5-9H,1-4H3
InChIKeyFMHITUBUKOGEFI-UHFFFAOYSA-N
XLogP3.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(-)-S-Methyl-S-phenylsulfoximine
CID 25036286
(S)-(+)-N,S-Dimethyl-S-phenylsulfoximine
CID 25037842
(Methylsulfonimidoyl)benzene
CID 290021
Methyl(methylimino)(phenyl)-lambda6-sulfanone
CID 519772
Ethyl(imino)phenyl-lambda6-sulfanone
CID 12463935
(S)-(+)-S-Methyl-S-phenylsulfoximine
CID 25036288
R-(-)-N,S-Dimethyl-S-phenylsulfoximine
CID 25036640
Methyl-oxo-phenyl-(trifluoromethylimino)-lambda6-sulfane
CID 155560183
3-Methylbut-2-enylsulfinylbenzene
CID 9877624
Fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 14117219
[(1,2-Dimethyl-1-propenyl)sulfinyl]benzene
CID 535232
[(E)-3,3-dimethylbut-1-enyl]sulfinylbenzene
CID 10330697

Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane?
The IUPAC name of methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane (CID 11287516) is methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane.
What is the SMILES notation for methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane?
The canonical SMILES for methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane is CC(C)=C(C)N=S(C)(=O)c1ccccc1.
What is the InChIKey of methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane?
The InChIKey is FMHITUBUKOGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(2)11(3)13-15(4,14)12-8-6-5-7-9-12/h5-9H,1-4H3.
What are the key properties of methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane?
methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane has a molecular weight of 223.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylbut-2-en-2-ylimino)-oxo-phenyl-lambda6-sulfane is sourced from PubChem (CID 11287516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).