bis(phenylsulfanyl)methylbenzene

C19H16S2 — CID 608010

IUPACbis(phenylsulfanyl)methylbenzene
SMILESc1ccc(SC(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16S2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,19H
InChIKeyGSXZQHRYDJLRRT-UHFFFAOYSA-N
MW308.47 g/mol
LogP6.27
Rot. Bonds5

About bis(phenylsulfanyl)methylbenzene

bis(phenylsulfanyl)methylbenzene (PubChem CID 608010) has the molecular formula C19H16S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is bis(phenylsulfanyl)methylbenzene.

Molecular Properties

Compound Namebis(phenylsulfanyl)methylbenzene
PubChem CID608010
Molecular FormulaC19H16S2
Molecular Weight308.47 g/mol
Exact Mass308.07
IUPAC Namebis(phenylsulfanyl)methylbenzene
SMILESc1ccc(SC(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16S2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,19H
InChIKeyGSXZQHRYDJLRRT-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)methylbenzene?
The IUPAC name of bis(phenylsulfanyl)methylbenzene (CID 608010) is bis(phenylsulfanyl)methylbenzene.
What is the SMILES notation for bis(phenylsulfanyl)methylbenzene?
The canonical SMILES for bis(phenylsulfanyl)methylbenzene is c1ccc(SC(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(phenylsulfanyl)methylbenzene?
The InChIKey is GSXZQHRYDJLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of bis(phenylsulfanyl)methylbenzene?
bis(phenylsulfanyl)methylbenzene has a molecular weight of 308.47 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)methylbenzene is sourced from PubChem (CID 608010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).