methyl-methylidene-(4-methylphenyl)-λ4-sulfane

C9H12S — CID 59881740

IUPACmethyl-methylidene-(4-methylphenyl)-λ4-sulfane
SMILESC=[S@@](C)c1ccc(C)cc1
InChIInChI=1S/C9H12S/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,2H2,1,3H3/t10-/m0/s1
InChIKeyVOPODPBPYXFGDV-JTQLQIEISA-N
MW152.26 g/mol
LogP2.68
Rot. Bonds1

About methyl-methylidene-(4-methylphenyl)-λ4-sulfane

methyl-methylidene-(4-methylphenyl)-λ4-sulfane (PubChem CID 59881740) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is methyl-methylidene-(4-methylphenyl)-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-(4-methylphenyl)-λ4-sulfane
PubChem CID59881740
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Namemethyl-methylidene-(4-methylphenyl)-λ4-sulfane
SMILESC=[S@@](C)c1ccc(C)cc1
InChIInChI=1S/C9H12S/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,2H2,1,3H3/t10-/m0/s1
InChIKeyVOPODPBPYXFGDV-JTQLQIEISA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl-methylidene-phenyl-λ4-sulfane
CID 91087934
methyl-methylidene-(3-methylphenyl)-λ4-sulfane
CID 88589966
4-[methylidene-(4-methylphenyl)-λ4-sulfanyl]phenol
CID 23393374
dichloroplatinum;ethene;1-methyl-4-methylsulfinylbenzene
CID 134900367
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
1-[(S)-ethenylsulfinyl]-4-methylbenzene
CID 10487263
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
benzene;bis(1,4-xylene)
CID 159472747
potassium;hydride;1,4-xylene
CID 173420414

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(4-methylphenyl)-λ4-sulfane?
The IUPAC name of methyl-methylidene-(4-methylphenyl)-λ4-sulfane (CID 59881740) is methyl-methylidene-(4-methylphenyl)-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-(4-methylphenyl)-λ4-sulfane?
The canonical SMILES for methyl-methylidene-(4-methylphenyl)-λ4-sulfane is C=[S@@](C)c1ccc(C)cc1.
What is the InChIKey of methyl-methylidene-(4-methylphenyl)-λ4-sulfane?
The InChIKey is VOPODPBPYXFGDV-JTQLQIEISA-N. The full InChI is InChI=1S/C9H12S/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,2H2,1,3H3/t10-/m0/s1.
What are the key properties of methyl-methylidene-(4-methylphenyl)-λ4-sulfane?
methyl-methylidene-(4-methylphenyl)-λ4-sulfane has a molecular weight of 152.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(4-methylphenyl)-λ4-sulfane is sourced from PubChem (CID 59881740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).