ethane;3-methoxythiophene

C7H12OS — CID 143563257

IUPACethane;3-methoxythiophene
SMILESCC.COc1ccsc1
InChIInChI=1S/C5H6OS.C2H6/c1-6-5-2-3-7-4-5;1-2/h2-4H,1H3;1-2H3
InChIKeyKJYITRYTQZXAHO-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.78
Rot. Bonds1

About ethane;3-methoxythiophene

ethane;3-methoxythiophene (PubChem CID 143563257) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is ethane;3-methoxythiophene.

Molecular Properties

Compound Nameethane;3-methoxythiophene
PubChem CID143563257
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Nameethane;3-methoxythiophene
SMILESCC.COc1ccsc1
InChIInChI=1S/C5H6OS.C2H6/c1-6-5-2-3-7-4-5;1-2/h2-4H,1H3;1-2H3
InChIKeyKJYITRYTQZXAHO-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trithiophen-3-yl borate
CID 69352648
3-methoxy-5-thiophen-3-ylphenol
CID 53220697
4-methoxybenzoyl chloride;(4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone;3-methoxythiophene
CID 159868660
lithium;hydride;thiophen-3-yl acetate
CID 175236484
3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
CID 11108420
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
methyl 2-chloro-2-thiophen-3-yloxyacetate
CID 57086770
3-prop-2-enoxythiophene
CID 13277932
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]thiophene
CID 150273608
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
ethane;methane;3-methylthiophene
CID 143325048
3-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43646356

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxythiophene?
The IUPAC name of ethane;3-methoxythiophene (CID 143563257) is ethane;3-methoxythiophene.
What is the SMILES notation for ethane;3-methoxythiophene?
The canonical SMILES for ethane;3-methoxythiophene is CC.COc1ccsc1.
What is the InChIKey of ethane;3-methoxythiophene?
The InChIKey is KJYITRYTQZXAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS.C2H6/c1-6-5-2-3-7-4-5;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;3-methoxythiophene?
ethane;3-methoxythiophene has a molecular weight of 144.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxythiophene is sourced from PubChem (CID 143563257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).