1-ethenyl-2-methylbenzene;sulfane

C9H14S2 — CID 175547085

IUPAC1-ethenyl-2-methylbenzene;sulfane
SMILESC=Cc1ccccc1C.S.S
InChIInChI=1S/C9H10.2H2S/c1-3-9-7-5-4-6-8(9)2;;/h3-7H,1H2,2H3;2*1H2
InChIKeyFLTGALCOFUFECB-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.86
Rot. Bonds1

About 1-ethenyl-2-methylbenzene;sulfane

1-ethenyl-2-methylbenzene;sulfane (PubChem CID 175547085) has the molecular formula C9H14S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-ethenyl-2-methylbenzene;sulfane.

Molecular Properties

Compound Name1-ethenyl-2-methylbenzene;sulfane
PubChem CID175547085
Molecular FormulaC9H14S2
Molecular Weight186.34 g/mol
Exact Mass186.05
IUPAC Name1-ethenyl-2-methylbenzene;sulfane
SMILESC=Cc1ccccc1C.S.S
InChIInChI=1S/C9H10.2H2S/c1-3-9-7-5-4-6-8(9)2;;/h3-7H,1H2,2H3;2*1H2
InChIKeyFLTGALCOFUFECB-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225
1-ethenyl-2-methylbenzene;trimethylazanium
CID 18465530
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CID 175558522
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
CID 174713948
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
1-ethenyl-2-methylbenzene;heptane
CID 173354339
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CID 175445378
ethenylcyclohexane;1-ethenyl-2-methylbenzene
CID 174828850
potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide
CID 161475446
1-ethenyl-2-ethyl-4-methylbenzene;1-ethenyl-2-methylbenzene
CID 173409250
1-ethenyl-2-methylbenzene;2-methyl-2-phenyloxirane
CID 178075043
CID 67878092
CID 67878092

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylbenzene;sulfane?
The IUPAC name of 1-ethenyl-2-methylbenzene;sulfane (CID 175547085) is 1-ethenyl-2-methylbenzene;sulfane.
What is the SMILES notation for 1-ethenyl-2-methylbenzene;sulfane?
The canonical SMILES for 1-ethenyl-2-methylbenzene;sulfane is C=Cc1ccccc1C.S.S.
What is the InChIKey of 1-ethenyl-2-methylbenzene;sulfane?
The InChIKey is FLTGALCOFUFECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.2H2S/c1-3-9-7-5-4-6-8(9)2;;/h3-7H,1H2,2H3;2*1H2.
What are the key properties of 1-ethenyl-2-methylbenzene;sulfane?
1-ethenyl-2-methylbenzene;sulfane has a molecular weight of 186.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylbenzene;sulfane is sourced from PubChem (CID 175547085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).