(1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene

C22H20S — CID 609923

IUPAC(1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene
SMILESCC1(Sc2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20S/c1-21(23-20-15-9-4-10-16-20)17-22(21,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3
InChIKeyDKKGXIJGZVZJRU-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.93
Rot. Bonds4

About (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene

(1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene (PubChem CID 609923) has the molecular formula C22H20S and a molecular weight of 316.47 g/mol. Its IUPAC name is (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene
PubChem CID609923
Molecular FormulaC22H20S
Molecular Weight316.47 g/mol
Exact Mass316.13
IUPAC Name(1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene
SMILESCC1(Sc2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20S/c1-21(23-20-15-9-4-10-16-20)17-22(21,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3
InChIKeyDKKGXIJGZVZJRU-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1-methyl-2,2-diphenylcyclopropyl)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-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene?
The IUPAC name of (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene (CID 609923) is (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene.
What is the SMILES notation for (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene?
The canonical SMILES for (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene is CC1(Sc2ccccc2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene?
The InChIKey is DKKGXIJGZVZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20S/c1-21(23-20-15-9-4-10-16-20)17-22(21,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,17H2,1H3.
What are the key properties of (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene?
(1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene has a molecular weight of 316.47 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,2-diphenylcyclopropyl)sulfanylbenzene is sourced from PubChem (CID 609923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).