2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene

C22H18S3 — CID 141437650

IUPAC2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene
SMILESc1csc(-c2ccccc2CSCc2ccccc2-c2cccs2)c1
InChIInChI=1S/C22H18S3/c1-3-9-19(21-11-5-13-24-21)17(7-1)15-23-16-18-8-2-4-10-20(18)22-12-6-14-25-22/h1-14H,15-16H2
InChIKeyRCVCPGRVYBIALK-UHFFFAOYSA-N
MW378.59 g/mol
LogP7.58
Rot. Bonds6

About 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene

2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene (PubChem CID 141437650) has the molecular formula C22H18S3 and a molecular weight of 378.59 g/mol. Its IUPAC name is 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene.

Molecular Properties

Compound Name2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene
PubChem CID141437650
Molecular FormulaC22H18S3
Molecular Weight378.59 g/mol
Exact Mass378.06
IUPAC Name2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene
SMILESc1csc(-c2ccccc2CSCc2ccccc2-c2cccs2)c1
InChIInChI=1S/C22H18S3/c1-3-9-19(21-11-5-13-24-21)17(7-1)15-23-16-18-8-2-4-10-20(18)22-12-6-14-25-22/h1-14H,15-16H2
InChIKeyRCVCPGRVYBIALK-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.59
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene?
The IUPAC name of 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene (CID 141437650) is 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene.
What is the SMILES notation for 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene?
The canonical SMILES for 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene is c1csc(-c2ccccc2CSCc2ccccc2-c2cccs2)c1.
What is the InChIKey of 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene?
The InChIKey is RCVCPGRVYBIALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18S3/c1-3-9-19(21-11-5-13-24-21)17(7-1)15-23-16-18-8-2-4-10-20(18)22-12-6-14-25-22/h1-14H,15-16H2.
What are the key properties of 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene?
2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene has a molecular weight of 378.59 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene is sourced from PubChem (CID 141437650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).