ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone

C12H16OS — CID 143932324

IUPACethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone
SMILESC=C/C=c1/cc(C(C)=O)sc1=C.CC
InChIInChI=1S/C10H10OS.C2H6/c1-4-5-9-6-10(7(2)11)12-8(9)3;1-2/h4-6H,1,3H2,2H3;1-2H3/b9-5-;
InChIKeyRLFIEZVPVMTHBO-UYTGOYFPSA-N
MW208.33 g/mol
LogP2.35
Rot. Bonds2

About ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone

ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone (PubChem CID 143932324) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone
PubChem CID143932324
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Nameethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone
SMILESC=C/C=c1/cc(C(C)=O)sc1=C.CC
InChIInChI=1S/C10H10OS.C2H6/c1-4-5-9-6-10(7(2)11)12-8(9)3;1-2/h4-6H,1,3H2,2H3;1-2H3/b9-5-;
InChIKeyRLFIEZVPVMTHBO-UYTGOYFPSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone?
The IUPAC name of ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone (CID 143932324) is ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone.
What is the SMILES notation for ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone?
The canonical SMILES for ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone is C=C/C=c1/cc(C(C)=O)sc1=C.CC.
What is the InChIKey of ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone?
The InChIKey is RLFIEZVPVMTHBO-UYTGOYFPSA-N. The full InChI is InChI=1S/C10H10OS.C2H6/c1-4-5-9-6-10(7(2)11)12-8(9)3;1-2/h4-6H,1,3H2,2H3;1-2H3/b9-5-;.
What are the key properties of ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone?
ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone has a molecular weight of 208.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4Z)-5-methylidene-4-prop-2-enylidenethiophen-2-yl]ethanone is sourced from PubChem (CID 143932324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).