2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene

C13H12OS2 — CID 6436832

IUPAC2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene
SMILESCS(=O)/C=C(\c1ccccc1)c1cccs1
InChIInChI=1S/C13H12OS2/c1-16(14)10-12(13-8-5-9-15-13)11-6-3-2-4-7-11/h2-10H,1H3/b12-10+
InChIKeyFJOORKHTTGRXJV-ZRDIBKRKSA-N
MW248.37 g/mol
LogP3.52
Rot. Bonds3

About 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene

2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene (PubChem CID 6436832) has the molecular formula C13H12OS2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene
PubChem CID6436832
Molecular FormulaC13H12OS2
Molecular Weight248.37 g/mol
Exact Mass248.03
IUPAC Name2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene
SMILESCS(=O)/C=C(\c1ccccc1)c1cccs1
InChIInChI=1S/C13H12OS2/c1-16(14)10-12(13-8-5-9-15-13)11-6-3-2-4-7-11/h2-10H,1H3/b12-10+
InChIKeyFJOORKHTTGRXJV-ZRDIBKRKSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10336873
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene?
The IUPAC name of 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene (CID 6436832) is 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene is CS(=O)/C=C(\c1ccccc1)c1cccs1.
What is the InChIKey of 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene?
The InChIKey is FJOORKHTTGRXJV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H12OS2/c1-16(14)10-12(13-8-5-9-15-13)11-6-3-2-4-7-11/h2-10H,1H3/b12-10+.
What are the key properties of 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene?
2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene has a molecular weight of 248.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylsulfinyl-1-phenylethenyl]thiophene is sourced from PubChem (CID 6436832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).