1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene

C12H14OS — CID 145390798

IUPAC1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene
SMILESC=Cc1ccc(S(C)=O)c(C)c1C=C
InChIInChI=1S/C12H14OS/c1-5-10-7-8-12(14(4)13)9(3)11(10)6-2/h5-8H,1-2H2,3-4H3
InChIKeyKMCAUIAMMOOLPL-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.02
Rot. Bonds3

About 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene

1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene (PubChem CID 145390798) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene
PubChem CID145390798
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene
SMILESC=Cc1ccc(S(C)=O)c(C)c1C=C
InChIInChI=1S/C12H14OS/c1-5-10-7-8-12(14(4)13)9(3)11(10)6-2/h5-8H,1-2H2,3-4H3
InChIKeyKMCAUIAMMOOLPL-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-2-methylsulfinylbenzene
CID 10881174
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
1-ethenyl-3,4-diethyl-2-methylbenzene
CID 54110697
3-chloro-1,2-bis(ethenyl)-4-methylbenzene
CID 156751029
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
3,4,5,6-tetrakis(ethenyl)phenanthrene
CID 143743555
2-chloro-1,3,4-tris(ethenyl)benzene
CID 21434290
ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene
CID 176968104
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233
2,3-bis(ethenyl)aniline
CID 22666736
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
3-ethenyl-2,4,5,6-tetramethylpyridine
CID 170004195

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene?
The IUPAC name of 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene (CID 145390798) is 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene.
What is the SMILES notation for 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene?
The canonical SMILES for 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene is C=Cc1ccc(S(C)=O)c(C)c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene?
The InChIKey is KMCAUIAMMOOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-5-10-7-8-12(14(4)13)9(3)11(10)6-2/h5-8H,1-2H2,3-4H3.
What are the key properties of 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene?
1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene has a molecular weight of 206.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3-methyl-4-methylsulfinylbenzene is sourced from PubChem (CID 145390798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).