3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline

C17H12F2N2S2 — CID 142989776

IUPAC3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline
SMILESC=CS/C(=C\C)c1nc2c(F)c(F)ccc2nc1-c1cccs1
InChIInChI=1S/C17H12F2N2S2/c1-3-12(22-4-2)16-17(13-6-5-9-23-13)20-11-8-7-10(18)14(19)15(11)21-16/h3-9H,2H2,1H3/b12-3-
InChIKeyIAZRTDXQWBNMSL-BASWHVEKSA-N
MW346.43 g/mol
LogP5.87
Rot. Bonds4

About 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline

3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline (PubChem CID 142989776) has the molecular formula C17H12F2N2S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline.

Molecular Properties

Compound Name3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline
PubChem CID142989776
Molecular FormulaC17H12F2N2S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline
SMILESC=CS/C(=C\C)c1nc2c(F)c(F)ccc2nc1-c1cccs1
InChIInChI=1S/C17H12F2N2S2/c1-3-12(22-4-2)16-17(13-6-5-9-23-13)20-11-8-7-10(18)14(19)15(11)21-16/h3-9H,2H2,1H3/b12-3-
InChIKeyIAZRTDXQWBNMSL-BASWHVEKSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Thienyl)quinoxaline
CID 251141
2-Methyl-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 2526270
N,N-dimethyl-5-[(E)-2-quinoxalin-2-ylethenyl]thiophen-2-amine
CID 168282421
2-Propylthieno[3,2-b]quinoxaline
CID 91667539
2,3-DI-(2-Thienyl)quinoxaline
CID 4357317
Quinoxaline, 2-methyl-3-(pentylthio)-
CID 3079965
2-(5-Methylthiophen-2-yl)quinoxaline
CID 10680762
2-Phenylsulfanyl-3-(trifluoromethyl)quinoxaline
CID 164620397
2-Cyclohexylsulfanyl-3-(trifluoromethyl)quinoxaline
CID 172433648
4-Methyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]sulfanyl-1,3-thiazole
CID 172437020
Thieno[3,4-b]quinoxaline
CID 11137842
2-Methylthio-3-(trifluoromethyl)quinoxaline
CID 91927319

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline?
The IUPAC name of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline (CID 142989776) is 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline.
What is the SMILES notation for 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline?
The canonical SMILES for 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline is C=CS/C(=C\C)c1nc2c(F)c(F)ccc2nc1-c1cccs1.
What is the InChIKey of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline?
The InChIKey is IAZRTDXQWBNMSL-BASWHVEKSA-N. The full InChI is InChI=1S/C17H12F2N2S2/c1-3-12(22-4-2)16-17(13-6-5-9-23-13)20-11-8-7-10(18)14(19)15(11)21-16/h3-9H,2H2,1H3/b12-3-.
What are the key properties of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline?
3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline has a molecular weight of 346.43 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-5,6-difluoro-2-thiophen-2-ylquinoxaline is sourced from PubChem (CID 142989776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).