3-(4-methylphenyl)-1,4-oxathiane

C11H14OS — CID 10845505

IUPAC3-(4-methylphenyl)-1,4-oxathiane
SMILESCc1ccc(C2COCCS2)cc1
InChIInChI=1S/C11H14OS/c1-9-2-4-10(5-3-9)11-8-12-6-7-13-11/h2-5,11H,6-8H2,1H3
InChIKeyHUDVAEOQYDMGIY-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.80
Rot. Bonds1

About 3-(4-methylphenyl)-1,4-oxathiane

3-(4-methylphenyl)-1,4-oxathiane (PubChem CID 10845505) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,4-oxathiane.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,4-oxathiane
PubChem CID10845505
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name3-(4-methylphenyl)-1,4-oxathiane
SMILESCc1ccc(C2COCCS2)cc1
InChIInChI=1S/C11H14OS/c1-9-2-4-10(5-3-9)11-8-12-6-7-13-11/h2-5,11H,6-8H2,1H3
InChIKeyHUDVAEOQYDMGIY-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-1-phenylethane-1-thiol
CID 23380571
beta-(Methylthio)benzeneethanol
CID 11367227
Ethyl phenylthioacetate
CID 12284387
3-[4-(Trifluoromethyl)phenyl]-1,4-oxathiane
CID 10562499
(3R)-3-benzyl-1-oxa-6,10-dithiaspiro[4.5]decane
CID 10084297
Yvrgtxfivrmmms-uhfffaoysa-
CID 12124046
Vusvxipfuymiia-uhfffaoysa-
CID 21578781
5,5-Dimethyl-2-ethyl-2-phenyl-1,3-oxathiane
CID 21578788
2-[(4-Methylphenyl)methyl]oxane
CID 10375270
4-Phenyl-1,3-oxathiolane-2-thione
CID 10375443
1-(2-Methoxyethyl)-4-methylbenzene
CID 13449127
3-Phenyl-1,4-oxathiane
CID 15248367

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,4-oxathiane?
The IUPAC name of 3-(4-methylphenyl)-1,4-oxathiane (CID 10845505) is 3-(4-methylphenyl)-1,4-oxathiane.
What is the SMILES notation for 3-(4-methylphenyl)-1,4-oxathiane?
The canonical SMILES for 3-(4-methylphenyl)-1,4-oxathiane is Cc1ccc(C2COCCS2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,4-oxathiane?
The InChIKey is HUDVAEOQYDMGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-9-2-4-10(5-3-9)11-8-12-6-7-13-11/h2-5,11H,6-8H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1,4-oxathiane?
3-(4-methylphenyl)-1,4-oxathiane has a molecular weight of 194.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,4-oxathiane is sourced from PubChem (CID 10845505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).