2-benzyl-2-methyl-1,3-dithiolane

C11H14S2 — CID 29969

IUPAC2-benzyl-2-methyl-1,3-dithiolane
SMILESCC1(Cc2ccccc2)SCCS1
InChIInChI=1S/C11H14S2/c1-11(12-7-8-13-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyLNZSIRYZTYDEDF-UHFFFAOYSA-N
MW210.37 g/mol
LogP3.43
Rot. Bonds2

About 2-benzyl-2-methyl-1,3-dithiolane

2-benzyl-2-methyl-1,3-dithiolane (PubChem CID 29969) has the molecular formula C11H14S2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 2-benzyl-2-methyl-1,3-dithiolane.

Molecular Properties

Compound Name2-benzyl-2-methyl-1,3-dithiolane
PubChem CID29969
Molecular FormulaC11H14S2
Molecular Weight210.37 g/mol
Exact Mass210.05
IUPAC Name2-benzyl-2-methyl-1,3-dithiolane
SMILESCC1(Cc2ccccc2)SCCS1
InChIInChI=1S/C11H14S2/c1-11(12-7-8-13-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyLNZSIRYZTYDEDF-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzyl sulfide
CID 10867
Benzyl methyl disulfide
CID 12779
1-Phenylethanethiol
CID 141850
Benzyl methyl sulfide
CID 13016
2-Phenylethanethiol
CID 78126
Thiophene, tetrahydro-3-phenyl-, 1-oxide
CID 583027
3-Phenylpropane-1-thiol
CID 90596
2-Phenyl-1,3-dithiane
CID 21547
alpha-(Methylsulphinyl)toluene
CID 69991
Benzyl Chloromethyl Sulfide
CID 319930
4-Phenyl-3H-1,2-dithiole-3-thione
CID 76882
2-Phenyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 899873

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methyl-1,3-dithiolane?
The IUPAC name of 2-benzyl-2-methyl-1,3-dithiolane (CID 29969) is 2-benzyl-2-methyl-1,3-dithiolane.
What is the SMILES notation for 2-benzyl-2-methyl-1,3-dithiolane?
The canonical SMILES for 2-benzyl-2-methyl-1,3-dithiolane is CC1(Cc2ccccc2)SCCS1.
What is the InChIKey of 2-benzyl-2-methyl-1,3-dithiolane?
The InChIKey is LNZSIRYZTYDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S2/c1-11(12-7-8-13-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-benzyl-2-methyl-1,3-dithiolane?
2-benzyl-2-methyl-1,3-dithiolane has a molecular weight of 210.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methyl-1,3-dithiolane is sourced from PubChem (CID 29969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).