bis(phenylsulfanyl)methylsulfanylbenzene

C19H16S3 — CID 615706

IUPACbis(phenylsulfanyl)methylsulfanylbenzene
SMILESc1ccc(SC(Sc2ccccc2)Sc2ccccc2)cc1
InChIInChI=1S/C19H16S3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19H
InChIKeyYOQHDHPBEXTHCP-UHFFFAOYSA-N
MW340.54 g/mol
LogP6.65
Rot. Bonds6

About bis(phenylsulfanyl)methylsulfanylbenzene

bis(phenylsulfanyl)methylsulfanylbenzene (PubChem CID 615706) has the molecular formula C19H16S3 and a molecular weight of 340.54 g/mol. Its IUPAC name is bis(phenylsulfanyl)methylsulfanylbenzene.

Molecular Properties

Compound Namebis(phenylsulfanyl)methylsulfanylbenzene
PubChem CID615706
Molecular FormulaC19H16S3
Molecular Weight340.54 g/mol
Exact Mass340.04
IUPAC Namebis(phenylsulfanyl)methylsulfanylbenzene
SMILESc1ccc(SC(Sc2ccccc2)Sc2ccccc2)cc1
InChIInChI=1S/C19H16S3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19H
InChIKeyYOQHDHPBEXTHCP-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(phenylsulfanyl)methylsulfanylbenzene?
The IUPAC name of bis(phenylsulfanyl)methylsulfanylbenzene (CID 615706) is bis(phenylsulfanyl)methylsulfanylbenzene.
What is the SMILES notation for bis(phenylsulfanyl)methylsulfanylbenzene?
The canonical SMILES for bis(phenylsulfanyl)methylsulfanylbenzene is c1ccc(SC(Sc2ccccc2)Sc2ccccc2)cc1.
What is the InChIKey of bis(phenylsulfanyl)methylsulfanylbenzene?
The InChIKey is YOQHDHPBEXTHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of bis(phenylsulfanyl)methylsulfanylbenzene?
bis(phenylsulfanyl)methylsulfanylbenzene has a molecular weight of 340.54 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)methylsulfanylbenzene is sourced from PubChem (CID 615706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).