2-methylidene-6-(2-phenylethyl)thiane

C14H18S — CID 101491818

IUPAC2-methylidene-6-(2-phenylethyl)thiane
SMILESC=C1CCCC(CCc2ccccc2)S1
InChIInChI=1S/C14H18S/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,1,5-6,9-11H2
InChIKeyAZQLKCZQDBORHW-UHFFFAOYSA-N
MW218.37 g/mol
LogP4.42
Rot. Bonds3

About 2-methylidene-6-(2-phenylethyl)thiane

2-methylidene-6-(2-phenylethyl)thiane (PubChem CID 101491818) has the molecular formula C14H18S and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-methylidene-6-(2-phenylethyl)thiane.

Molecular Properties

Compound Name2-methylidene-6-(2-phenylethyl)thiane
PubChem CID101491818
Molecular FormulaC14H18S
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name2-methylidene-6-(2-phenylethyl)thiane
SMILESC=C1CCCC(CCc2ccccc2)S1
InChIInChI=1S/C14H18S/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,1,5-6,9-11H2
InChIKeyAZQLKCZQDBORHW-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Thiocyanate
CID 18170
Dibenzyl sulfide
CID 10867
Benzyl sulfoxide
CID 12116
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
Benzyl phenyl sulfide
CID 13255
Benzyl Chloromethyl Sulfide
CID 319930
Benzene, [(hexylsulfinyl)methyl]-
CID 2249213

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-(2-phenylethyl)thiane?
The IUPAC name of 2-methylidene-6-(2-phenylethyl)thiane (CID 101491818) is 2-methylidene-6-(2-phenylethyl)thiane.
What is the SMILES notation for 2-methylidene-6-(2-phenylethyl)thiane?
The canonical SMILES for 2-methylidene-6-(2-phenylethyl)thiane is C=C1CCCC(CCc2ccccc2)S1.
What is the InChIKey of 2-methylidene-6-(2-phenylethyl)thiane?
The InChIKey is AZQLKCZQDBORHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-4,7-8,14H,1,5-6,9-11H2.
What are the key properties of 2-methylidene-6-(2-phenylethyl)thiane?
2-methylidene-6-(2-phenylethyl)thiane has a molecular weight of 218.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-(2-phenylethyl)thiane is sourced from PubChem (CID 101491818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).