2,3-di(ethylidene)-1,4-oxathiane

C8H12OS — CID 123863713

IUPAC2,3-di(ethylidene)-1,4-oxathiane
SMILESCC=C1OCCSC1=CC
InChIInChI=1S/C8H12OS/c1-3-7-8(4-2)10-6-5-9-7/h3-4H,5-6H2,1-2H3
InChIKeyYGPAZKVBIHTWGU-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.56
Rot. Bonds

About 2,3-di(ethylidene)-1,4-oxathiane

2,3-di(ethylidene)-1,4-oxathiane (PubChem CID 123863713) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2,3-di(ethylidene)-1,4-oxathiane.

Molecular Properties

Compound Name2,3-di(ethylidene)-1,4-oxathiane
PubChem CID123863713
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2,3-di(ethylidene)-1,4-oxathiane
SMILESCC=C1OCCSC1=CC
InChIInChI=1S/C8H12OS/c1-3-7-8(4-2)10-6-5-9-7/h3-4H,5-6H2,1-2H3
InChIKeyYGPAZKVBIHTWGU-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-ethylidene-3-methylidene-1,4-dioxane
CID 144611337
6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 22980776
2-methylidene-1,3-oxathiolane
CID 19853579
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
2-ethylidene-3-prop-2-enylidenethiolane
CID 123580390
5-(2-chloroethyl)-6-methyl-2,3-dihydro-1,4-oxathiine
CID 14551706
(2Z,3Z)-3-[(Z)-but-2-enylidene]-2-ethylideneoxane
CID 89289028
(2Z)-3,3-diethyl-2-ethylidene-1,4-oxathiane
CID 10797652
(E)-[(3Z)-3-ethylideneoxolan-2-ylidene]methanamine
CID 144833852
(4E,5E)-4,5-di(ethylidene)-1,3-dioxolane;methanamine;prop-1-ene
CID 160974653
5-methyl-2,3-dihydro-1,4-oxathiine
CID 12602857
1,3-oxathiolan-2-imine
CID 20981979

Frequently Asked Questions

What is the IUPAC name of 2,3-di(ethylidene)-1,4-oxathiane?
The IUPAC name of 2,3-di(ethylidene)-1,4-oxathiane (CID 123863713) is 2,3-di(ethylidene)-1,4-oxathiane.
What is the SMILES notation for 2,3-di(ethylidene)-1,4-oxathiane?
The canonical SMILES for 2,3-di(ethylidene)-1,4-oxathiane is CC=C1OCCSC1=CC.
What is the InChIKey of 2,3-di(ethylidene)-1,4-oxathiane?
The InChIKey is YGPAZKVBIHTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-3-7-8(4-2)10-6-5-9-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 2,3-di(ethylidene)-1,4-oxathiane?
2,3-di(ethylidene)-1,4-oxathiane has a molecular weight of 156.25 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(ethylidene)-1,4-oxathiane is sourced from PubChem (CID 123863713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).