1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene

C11H14S — CID 129287205

IUPAC1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)cc(SC)c1
InChIInChI=1S/C11H14S/c1-8(2)10-5-9(3)6-11(7-10)12-4/h5-7H,1H2,2-4H3
InChIKeyIGYMMOYEDZKVHV-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.75
Rot. Bonds2

About 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene

1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene (PubChem CID 129287205) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene
PubChem CID129287205
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)cc(SC)c1
InChIInChI=1S/C11H14S/c1-8(2)10-5-9(3)6-11(7-10)12-4/h5-7H,1H2,2-4H3
InChIKeyIGYMMOYEDZKVHV-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
1,3-dimethyl-5-prop-1-en-2-ylbenzene;molecular hydrogen
CID 163256290
1,3,5-tris[3,5-bis(prop-1-en-2-yl)phenyl]benzene
CID 101246721
1-bromo-3-methyl-5-methylsulfanylbenzene;ethane;ethene
CID 144805202
2-methylpropane;1-methyl-3-propan-2-yloxy-5-prop-1-en-2-ylbenzene
CID 142213493
N-methoxy-3-methyl-5-methylsulfanylaniline
CID 143858418
ethane;1-methoxy-3-methyl-5-methylsulfanylbenzene
CID 143780161
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
3,5-bis(methylsulfanyl)benzoic acid
CID 21445961
5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole
CID 166922343
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-(1-fluoroethenyl)-3,5-dimethylbenzene
CID 130699738

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene?
The IUPAC name of 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene (CID 129287205) is 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene is C=C(C)c1cc(C)cc(SC)c1.
What is the InChIKey of 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene?
The InChIKey is IGYMMOYEDZKVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-8(2)10-5-9(3)6-11(7-10)12-4/h5-7H,1H2,2-4H3.
What are the key properties of 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene?
1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene has a molecular weight of 178.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyl-5-prop-1-en-2-ylbenzene is sourced from PubChem (CID 129287205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).