(1-phenylsulfanylcyclohexyl)sulfanylbenzene

C18H20S2 — CID 4257233

IUPAC(1-phenylsulfanylcyclohexyl)sulfanylbenzene
SMILESc1ccc(SC2(Sc3ccccc3)CCCCC2)cc1
InChIInChI=1S/C18H20S2/c1-4-10-16(11-5-1)19-18(14-8-3-9-15-18)20-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyULHLXEFAWKYHHZ-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.23
Rot. Bonds4

About (1-phenylsulfanylcyclohexyl)sulfanylbenzene

(1-phenylsulfanylcyclohexyl)sulfanylbenzene (PubChem CID 4257233) has the molecular formula C18H20S2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (1-phenylsulfanylcyclohexyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-phenylsulfanylcyclohexyl)sulfanylbenzene
PubChem CID4257233
Molecular FormulaC18H20S2
Molecular Weight300.49 g/mol
Exact Mass300.10
IUPAC Name(1-phenylsulfanylcyclohexyl)sulfanylbenzene
SMILESc1ccc(SC2(Sc3ccccc3)CCCCC2)cc1
InChIInChI=1S/C18H20S2/c1-4-10-16(11-5-1)19-18(14-8-3-9-15-18)20-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyULHLXEFAWKYHHZ-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-phenylsulfanylcyclohexyl)sulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-phenylsulfanylcyclohexyl)sulfanylbenzene?
The IUPAC name of (1-phenylsulfanylcyclohexyl)sulfanylbenzene (CID 4257233) is (1-phenylsulfanylcyclohexyl)sulfanylbenzene.
What is the SMILES notation for (1-phenylsulfanylcyclohexyl)sulfanylbenzene?
The canonical SMILES for (1-phenylsulfanylcyclohexyl)sulfanylbenzene is c1ccc(SC2(Sc3ccccc3)CCCCC2)cc1.
What is the InChIKey of (1-phenylsulfanylcyclohexyl)sulfanylbenzene?
The InChIKey is ULHLXEFAWKYHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S2/c1-4-10-16(11-5-1)19-18(14-8-3-9-15-18)20-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of (1-phenylsulfanylcyclohexyl)sulfanylbenzene?
(1-phenylsulfanylcyclohexyl)sulfanylbenzene has a molecular weight of 300.49 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylsulfanylcyclohexyl)sulfanylbenzene is sourced from PubChem (CID 4257233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).