2-(3-methoxyphenyl)-1,3-dithiane

C11H14OS2 — CID 11276210

IUPAC2-(3-methoxyphenyl)-1,3-dithiane
SMILESCOc1cccc(C2SCCCS2)c1
InChIInChI=1S/C11H14OS2/c1-12-10-5-2-4-9(8-10)11-13-6-3-7-14-11/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyQZBJJXMITFWMSS-UHFFFAOYSA-N
MW226.37 g/mol
LogP3.56
Rot. Bonds2

About 2-(3-methoxyphenyl)-1,3-dithiane

2-(3-methoxyphenyl)-1,3-dithiane (PubChem CID 11276210) has the molecular formula C11H14OS2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,3-dithiane
PubChem CID11276210
Molecular FormulaC11H14OS2
Molecular Weight226.37 g/mol
Exact Mass226.05
IUPAC Name2-(3-methoxyphenyl)-1,3-dithiane
SMILESCOc1cccc(C2SCCCS2)c1
InChIInChI=1S/C11H14OS2/c1-12-10-5-2-4-9(8-10)11-13-6-3-7-14-11/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyQZBJJXMITFWMSS-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
CID 19989635
2-(4-methoxyphenyl)-1,3-dithiolane
CID 23175
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane
CID 66231973
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
2-(3-methoxyphenyl)thiomorpholin-3-one
CID 14169391
2-[[3-(1,3-dithian-2-yl)phenoxy]methyl]quinoline
CID 14774169
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
3-(3-methoxyphenyl)oxetane
CID 130113867

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,3-dithiane?
The IUPAC name of 2-(3-methoxyphenyl)-1,3-dithiane (CID 11276210) is 2-(3-methoxyphenyl)-1,3-dithiane.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,3-dithiane?
The canonical SMILES for 2-(3-methoxyphenyl)-1,3-dithiane is COc1cccc(C2SCCCS2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1,3-dithiane?
The InChIKey is QZBJJXMITFWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS2/c1-12-10-5-2-4-9(8-10)11-13-6-3-7-14-11/h2,4-5,8,11H,3,6-7H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1,3-dithiane?
2-(3-methoxyphenyl)-1,3-dithiane has a molecular weight of 226.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1,3-dithiane is sourced from PubChem (CID 11276210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).