2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene

C13H11ClOS2 — CID 11033348

IUPAC2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene
SMILESCc1ccc([S@](=O)/C(Cl)=C/c2cccs2)cc1
InChIInChI=1S/C13H11ClOS2/c1-10-4-6-12(7-5-10)17(15)13(14)9-11-3-2-8-16-11/h2-9H,1H3/b13-9+/t17-/m0/s1
InChIKeyIRPULIJDZYTJMS-VEMDQMBVSA-N
MW282.82 g/mol
LogP4.40
Rot. Bonds3

About 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene

2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene (PubChem CID 11033348) has the molecular formula C13H11ClOS2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene.

Molecular Properties

Compound Name2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene
PubChem CID11033348
Molecular FormulaC13H11ClOS2
Molecular Weight282.82 g/mol
Exact Mass281.99
IUPAC Name2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene
SMILESCc1ccc([S@](=O)/C(Cl)=C/c2cccs2)cc1
InChIInChI=1S/C13H11ClOS2/c1-10-4-6-12(7-5-10)17(15)13(14)9-11-3-2-8-16-11/h2-9H,1H3/b13-9+/t17-/m0/s1
InChIKeyIRPULIJDZYTJMS-VEMDQMBVSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-chloro-2-(4-methylphenyl)sulfinylethenyl]thiophene
CID 102532992
2-[(Z)-2-chloro-2-[(S)-methylsulfinyl]ethenyl]thiophene
CID 124725146
2-[(Z)-2-chloro-2-(4-methylphenyl)sulfinylethenyl]furan
CID 102382887
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene
CID 102382885
1-[(1Z)-1-chloro-2-methylbuta-1,3-dienyl]sulfinyl-4-methylbenzene
CID 101380718
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene
CID 171614647
(Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 16657925
1-(1-chloro-2-propylpent-1-enyl)sulfinyl-4-methylbenzene
CID 101495794
(E)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-thiophen-2-ylprop-2-en-1-one
CID 52945335
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene?
The IUPAC name of 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene (CID 11033348) is 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene.
What is the SMILES notation for 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene?
The canonical SMILES for 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene is Cc1ccc([S@](=O)/C(Cl)=C/c2cccs2)cc1.
What is the InChIKey of 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene?
The InChIKey is IRPULIJDZYTJMS-VEMDQMBVSA-N. The full InChI is InChI=1S/C13H11ClOS2/c1-10-4-6-12(7-5-10)17(15)13(14)9-11-3-2-8-16-11/h2-9H,1H3/b13-9+/t17-/m0/s1.
What are the key properties of 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene?
2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene has a molecular weight of 282.82 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene is sourced from PubChem (CID 11033348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).