2-(4-methoxyphenyl)-1,3-dithiolane

C10H12OS2 — CID 23175

IUPAC2-(4-methoxyphenyl)-1,3-dithiolane
SMILESCOc1ccc(C2SCCS2)cc1
InChIInChI=1S/C10H12OS2/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyJYWZOJISGOBZDP-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,3-dithiolane

2-(4-methoxyphenyl)-1,3-dithiolane (PubChem CID 23175) has the molecular formula C10H12OS2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-dithiolane
PubChem CID23175
Molecular FormulaC10H12OS2
Molecular Weight212.34 g/mol
Exact Mass212.03
IUPAC Name2-(4-methoxyphenyl)-1,3-dithiolane
SMILESCOc1ccc(C2SCCS2)cc1
InChIInChI=1S/C10H12OS2/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyJYWZOJISGOBZDP-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
CID 19989635
[4-(1,3-dithiolan-2-yl)phenyl] methanesulfonate
CID 3607285
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744442
2-(3-methoxyphenyl)-1,3-dithiane
CID 11276210
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-1,3-dithiolane
CID 19989562
1-[4-(4-methoxyphenyl)-1,3-dithietan-2-ylidene]pyrrolidin-1-ium
CID 135059774
(2R,3S)-2-(4-methoxyphenyl)-3-(trifluoromethyl)thiolane
CID 135044364
[[2-(4-methoxyphenyl)-1,3-dithian-5-ylidene]amino] N-methylcarbamate
CID 134097621
1-[4-(1,3-dithiolan-2-yl)-2-nitrophenyl]-4-(4-methoxyphenyl)piperazine
CID 4782582
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
2-(4-methoxyphenyl)thiomorpholin-3-one
CID 14480955

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-dithiolane?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-dithiolane (CID 23175) is 2-(4-methoxyphenyl)-1,3-dithiolane.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-dithiolane?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-dithiolane is COc1ccc(C2SCCS2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-dithiolane?
The InChIKey is JYWZOJISGOBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS2/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,3-dithiolane?
2-(4-methoxyphenyl)-1,3-dithiolane has a molecular weight of 212.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-dithiolane is sourced from PubChem (CID 23175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).