(1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene

C16H18OS2 — CID 162413327

IUPAC(1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene
SMILESCOCC(C)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H18OS2/c1-16(13-17-2,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyGLRZIKZFRUATGJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.93
Rot. Bonds6

About (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene

(1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene (PubChem CID 162413327) has the molecular formula C16H18OS2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene.

Molecular Properties

Compound Name(1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene
PubChem CID162413327
Molecular FormulaC16H18OS2
Molecular Weight290.45 g/mol
Exact Mass290.08
IUPAC Name(1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene
SMILESCOCC(C)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H18OS2/c1-16(13-17-2,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyGLRZIKZFRUATGJ-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-methoxy-2-phenylsulfanylpropan-2-yl)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-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene?
The IUPAC name of (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene (CID 162413327) is (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene.
What is the SMILES notation for (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene?
The canonical SMILES for (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene is COCC(C)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene?
The InChIKey is GLRZIKZFRUATGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS2/c1-16(13-17-2,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene?
(1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene has a molecular weight of 290.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-phenylsulfanylpropan-2-yl)sulfanylbenzene is sourced from PubChem (CID 162413327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).