2-methylsulfinylethylsulfinylmethylbenzene

C10H14O2S2 — CID 139841382

IUPAC2-methylsulfinylethylsulfinylmethylbenzene
SMILESCS(=O)CCS(=O)Cc1ccccc1
InChIInChI=1S/C10H14O2S2/c1-13(11)7-8-14(12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeySYXBUNSIHJJHKB-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds5

About 2-methylsulfinylethylsulfinylmethylbenzene

2-methylsulfinylethylsulfinylmethylbenzene (PubChem CID 139841382) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methylsulfinylethylsulfinylmethylbenzene.

Molecular Properties

Compound Name2-methylsulfinylethylsulfinylmethylbenzene
PubChem CID139841382
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name2-methylsulfinylethylsulfinylmethylbenzene
SMILESCS(=O)CCS(=O)Cc1ccccc1
InChIInChI=1S/C10H14O2S2/c1-13(11)7-8-14(12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeySYXBUNSIHJJHKB-UHFFFAOYSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylethylsulfinylmethylbenzene?
The IUPAC name of 2-methylsulfinylethylsulfinylmethylbenzene (CID 139841382) is 2-methylsulfinylethylsulfinylmethylbenzene.
What is the SMILES notation for 2-methylsulfinylethylsulfinylmethylbenzene?
The canonical SMILES for 2-methylsulfinylethylsulfinylmethylbenzene is CS(=O)CCS(=O)Cc1ccccc1.
What is the InChIKey of 2-methylsulfinylethylsulfinylmethylbenzene?
The InChIKey is SYXBUNSIHJJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-13(11)7-8-14(12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-methylsulfinylethylsulfinylmethylbenzene?
2-methylsulfinylethylsulfinylmethylbenzene has a molecular weight of 230.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylethylsulfinylmethylbenzene is sourced from PubChem (CID 139841382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).