1-methyl-2-prop-2-enylbenzene;sulfane

C10H14S — CID 174918280

IUPAC1-methyl-2-prop-2-enylbenzene;sulfane
SMILESC=CCc1ccccc1C.S
InChIInChI=1S/C10H12.H2S/c1-3-6-10-8-5-4-7-9(10)2;/h3-5,7-8H,1,6H2,2H3;1H2
InChIKeyYTIONVBMTJHVES-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.84
Rot. Bonds2

About 1-methyl-2-prop-2-enylbenzene;sulfane

1-methyl-2-prop-2-enylbenzene;sulfane (PubChem CID 174918280) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enylbenzene;sulfane.

Molecular Properties

Compound Name1-methyl-2-prop-2-enylbenzene;sulfane
PubChem CID174918280
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name1-methyl-2-prop-2-enylbenzene;sulfane
SMILESC=CCc1ccccc1C.S
InChIInChI=1S/C10H12.H2S/c1-3-6-10-8-5-4-7-9(10)2;/h3-5,7-8H,1,6H2,2H3;1H2
InChIKeyYTIONVBMTJHVES-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
1-butyl-2-prop-2-enylbenzene
CID 18786435
1-prop-2-enyl-2-propylbenzene
CID 12585186
1-methyl-2-prop-2-enylbenzene;2-methyl-3-prop-2-enylbicyclo[4.1.0]hepta-2,4-diene
CID 143183933
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
trimethyl-(2-methyl-6-prop-2-enylphenoxy)silane
CID 19737589
2-prop-2-enylaniline
CID 3036592
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enylbenzene;sulfane?
The IUPAC name of 1-methyl-2-prop-2-enylbenzene;sulfane (CID 174918280) is 1-methyl-2-prop-2-enylbenzene;sulfane.
What is the SMILES notation for 1-methyl-2-prop-2-enylbenzene;sulfane?
The canonical SMILES for 1-methyl-2-prop-2-enylbenzene;sulfane is C=CCc1ccccc1C.S.
What is the InChIKey of 1-methyl-2-prop-2-enylbenzene;sulfane?
The InChIKey is YTIONVBMTJHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.H2S/c1-3-6-10-8-5-4-7-9(10)2;/h3-5,7-8H,1,6H2,2H3;1H2.
What are the key properties of 1-methyl-2-prop-2-enylbenzene;sulfane?
1-methyl-2-prop-2-enylbenzene;sulfane has a molecular weight of 166.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enylbenzene;sulfane is sourced from PubChem (CID 174918280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).