(4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane

C9H16OS — CID 143817231

IUPAC(4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane
SMILESC/C=C1/OCS/C1=C/C.CC
InChIInChI=1S/C7H10OS.C2H6/c1-3-6-7(4-2)9-5-8-6;1-2/h3-4H,5H2,1-2H3;1-2H3/b6-3+,7-4+;
InChIKeyUKOYQJOTTMCAJR-BTQXJGEMSA-N
MW172.29 g/mol
LogP3.54
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane

(4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane (PubChem CID 143817231) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane
PubChem CID143817231
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane
SMILESC/C=C1/OCS/C1=C/C.CC
InChIInChI=1S/C7H10OS.C2H6/c1-3-6-7(4-2)9-5-8-6;1-2/h3-4H,5H2,1-2H3;1-2H3/b6-3+,7-4+;
InChIKeyUKOYQJOTTMCAJR-BTQXJGEMSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane (CID 143817231) is (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane is C/C=C1/OCS/C1=C/C.CC.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane?
The InChIKey is UKOYQJOTTMCAJR-BTQXJGEMSA-N. The full InChI is InChI=1S/C7H10OS.C2H6/c1-3-6-7(4-2)9-5-8-6;1-2/h3-4H,5H2,1-2H3;1-2H3/b6-3+,7-4+;.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane?
(4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane has a molecular weight of 172.29 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1,3-oxathiolane;ethane is sourced from PubChem (CID 143817231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).