(2-methylsulfanyl-2-methylsulfonylethyl)benzene

C10H14O2S2 — CID 12739547

IUPAC(2-methylsulfanyl-2-methylsulfonylethyl)benzene
SMILESCSC(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H14O2S2/c1-13-10(14(2,11)12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyFKTQODWDWKFGTM-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.96
Rot. Bonds4

About (2-methylsulfanyl-2-methylsulfonylethyl)benzene

(2-methylsulfanyl-2-methylsulfonylethyl)benzene (PubChem CID 12739547) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2-methylsulfanyl-2-methylsulfonylethyl)benzene.

Molecular Properties

Compound Name(2-methylsulfanyl-2-methylsulfonylethyl)benzene
PubChem CID12739547
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name(2-methylsulfanyl-2-methylsulfonylethyl)benzene
SMILESCSC(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H14O2S2/c1-13-10(14(2,11)12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyFKTQODWDWKFGTM-UHFFFAOYSA-N
XLogP1.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-2-methylsulfonylethyl)benzene?
The IUPAC name of (2-methylsulfanyl-2-methylsulfonylethyl)benzene (CID 12739547) is (2-methylsulfanyl-2-methylsulfonylethyl)benzene.
What is the SMILES notation for (2-methylsulfanyl-2-methylsulfonylethyl)benzene?
The canonical SMILES for (2-methylsulfanyl-2-methylsulfonylethyl)benzene is CSC(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2-methylsulfanyl-2-methylsulfonylethyl)benzene?
The InChIKey is FKTQODWDWKFGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-13-10(14(2,11)12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of (2-methylsulfanyl-2-methylsulfonylethyl)benzene?
(2-methylsulfanyl-2-methylsulfonylethyl)benzene has a molecular weight of 230.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-2-methylsulfonylethyl)benzene is sourced from PubChem (CID 12739547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).