1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene

C12H15ClOS — CID 132520428

IUPAC1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene
SMILESCC(C)(C)S(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClOS/c1-12(2,3)15(14)9-8-10-4-6-11(13)7-5-10/h4-9H,1-3H3/b9-8+
InChIKeyYMWKAJKYRDCCAH-CMDGGOBGSA-N
MW242.77 g/mol
LogP3.86
Rot. Bonds2

About 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene

1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene (PubChem CID 132520428) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene
PubChem CID132520428
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene
SMILESCC(C)(C)S(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClOS/c1-12(2,3)15(14)9-8-10-4-6-11(13)7-5-10/h4-9H,1-3H3/b9-8+
InChIKeyYMWKAJKYRDCCAH-CMDGGOBGSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene (CID 132520428) is 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene is CC(C)(C)S(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene?
The InChIKey is YMWKAJKYRDCCAH-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15ClOS/c1-12(2,3)15(14)9-8-10-4-6-11(13)7-5-10/h4-9H,1-3H3/b9-8+.
What are the key properties of 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene?
1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene has a molecular weight of 242.77 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-tert-butylsulfinylethenyl]-4-chlorobenzene is sourced from PubChem (CID 132520428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).