1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene

C12H6Cl4OS — CID 121492311

IUPAC1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene
SMILESO=[S@](c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl4OS/c13-7-1-3-8(4-2-7)18(17)12-6-10(15)9(14)5-11(12)16/h1-6H/t18-/m1/s1
InChIKeyIEPUYXNXNXZXRP-GOSISDBHSA-N
MW340.06 g/mol
LogP5.47
Rot. Bonds2

About 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene

1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene (PubChem CID 121492311) has the molecular formula C12H6Cl4OS and a molecular weight of 340.06 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene
PubChem CID121492311
Molecular FormulaC12H6Cl4OS
Molecular Weight340.06 g/mol
Exact Mass337.89
IUPAC Name1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene
SMILESO=[S@](c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl4OS/c13-7-1-3-8(4-2-7)18(17)12-6-10(15)9(14)5-11(12)16/h1-6H/t18-/m1/s1
InChIKeyIEPUYXNXNXZXRP-GOSISDBHSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.06
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene (CID 121492311) is 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene is O=[S@](c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene?
The InChIKey is IEPUYXNXNXZXRP-GOSISDBHSA-N. The full InChI is InChI=1S/C12H6Cl4OS/c13-7-1-3-8(4-2-7)18(17)12-6-10(15)9(14)5-11(12)16/h1-6H/t18-/m1/s1.
What are the key properties of 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene?
1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene has a molecular weight of 340.06 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene is sourced from PubChem (CID 121492311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).