1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene

C12H16O2S2 — CID 131860432

IUPAC1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene
SMILESCOc1ccc(C=C(SC)S(C)=O)cc1C
InChIInChI=1S/C12H16O2S2/c1-9-7-10(5-6-11(9)14-2)8-12(15-3)16(4)13/h5-8H,1-4H3
InChIKeyHKEOOASJSKGGJM-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.04
Rot. Bonds4

About 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene

1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene (PubChem CID 131860432) has the molecular formula C12H16O2S2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene
PubChem CID131860432
Molecular FormulaC12H16O2S2
Molecular Weight256.39 g/mol
Exact Mass256.06
IUPAC Name1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene
SMILESCOc1ccc(C=C(SC)S(C)=O)cc1C
InChIInChI=1S/C12H16O2S2/c1-9-7-10(5-6-11(9)14-2)8-12(15-3)16(4)13/h5-8H,1-4H3
InChIKeyHKEOOASJSKGGJM-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2E,3E)-2,3-bis[(4-methoxy-3-methylphenyl)methylidene]butanedioic acid
CID 10339857
3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal
CID 79331206
2-[(4-methoxy-3-methylphenyl)methylidene]butanal
CID 79334147
4-[2-(chloromethyl)but-1-enyl]-1-methoxy-2-methylbenzene
CID 79335032
(E)-2-azido-3-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 90405180
(2Z)-2-[(4-methoxy-3-methylphenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47046260
2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79330304
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83955379
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-methoxy-3-methylphenyl)prop-2-enamide
CID 876890
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
(E)-3-(4-methoxy-3-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 24582564

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene?
The IUPAC name of 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene (CID 131860432) is 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene?
The canonical SMILES for 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene is COc1ccc(C=C(SC)S(C)=O)cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene?
The InChIKey is HKEOOASJSKGGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S2/c1-9-7-10(5-6-11(9)14-2)8-12(15-3)16(4)13/h5-8H,1-4H3.
What are the key properties of 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene?
1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene has a molecular weight of 256.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(2-methylsulfanyl-2-methylsulfinylethenyl)benzene is sourced from PubChem (CID 131860432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).