(2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene

C16H16S2 — CID 12517356

IUPAC(2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene
SMILESCC(C)=C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16S2/c1-13(2)16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyRSSIQLOMASLOOV-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.82
Rot. Bonds4

About (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene

(2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene (PubChem CID 12517356) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene
PubChem CID12517356
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name(2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene
SMILESCC(C)=C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16S2/c1-13(2)16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyRSSIQLOMASLOOV-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

Diphenyl sulfide
CID 8766
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
4,4'-Thiobisbenzenethiol
CID 619483
Prenylphenyl sulfide
CID 329234
Phosphine, tris(p-methylthiophenyl)-
CID 207408
Tris(phenylthio)methane
CID 615706
((2-(Phenylthio)-1-cyclobuten-1-yl)thio)benzene
CID 332690
Phosphine, tris(2-(methylthio)phenyl)-
CID 398155
((1,1-Dimethylethyl)thio)benzene
CID 137798
Stannane, bis(phenylthio)dimethyl-
CID 9578371
Benzene, 1,1'-[(1-phenylethylidene)bis(thio)]bis-
CID 4296225

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene?
The IUPAC name of (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene (CID 12517356) is (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene.
What is the SMILES notation for (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene?
The canonical SMILES for (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene is CC(C)=C(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene?
The InChIKey is RSSIQLOMASLOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S2/c1-13(2)16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene?
(2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene has a molecular weight of 272.44 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylsulfanylprop-1-enyl)sulfanylbenzene is sourced from PubChem (CID 12517356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).