3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene

C13H10Cl2OS2 — CID 68559378

IUPAC3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene
SMILESO=S(C=Cc1ccsc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2OS2/c14-12-2-1-11(7-13(12)15)9-18(16)6-4-10-3-5-17-8-10/h1-8H,9H2
InChIKeyYZGFUJCZZSUBOU-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.97
Rot. Bonds4

About 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene

3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene (PubChem CID 68559378) has the molecular formula C13H10Cl2OS2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene.

Molecular Properties

Compound Name3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene
PubChem CID68559378
Molecular FormulaC13H10Cl2OS2
Molecular Weight317.26 g/mol
Exact Mass315.96
IUPAC Name3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene
SMILESO=S(C=Cc1ccsc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2OS2/c14-12-2-1-11(7-13(12)15)9-18(16)6-4-10-3-5-17-8-10/h1-8H,9H2
InChIKeyYZGFUJCZZSUBOU-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene?
The IUPAC name of 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene (CID 68559378) is 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene.
What is the SMILES notation for 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene?
The canonical SMILES for 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene is O=S(C=Cc1ccsc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene?
The InChIKey is YZGFUJCZZSUBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2OS2/c14-12-2-1-11(7-13(12)15)9-18(16)6-4-10-3-5-17-8-10/h1-8H,9H2.
What are the key properties of 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene?
3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene has a molecular weight of 317.26 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,4-dichlorophenyl)methylsulfinyl]ethenyl]thiophene is sourced from PubChem (CID 68559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).