4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole

C9H10F3NOS2 — CID 12993973

IUPAC4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESCSCc1coc(SCCC(F)=C(F)F)n1
InChIInChI=1S/C9H10F3NOS2/c1-15-5-6-4-14-9(13-6)16-3-2-7(10)8(11)12/h4H,2-3,5H2,1H3
InChIKeyGZRHGUBXTIOCJD-UHFFFAOYSA-N
MW269.31 g/mol
LogP4.10
Rot. Bonds6

About 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole

4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (PubChem CID 12993973) has the molecular formula C9H10F3NOS2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
PubChem CID12993973
Molecular FormulaC9H10F3NOS2
Molecular Weight269.31 g/mol
Exact Mass269.02
IUPAC Name4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESCSCc1coc(SCCC(F)=C(F)F)n1
InChIInChI=1S/C9H10F3NOS2/c1-15-5-6-4-14-9(13-6)16-3-2-7(10)8(11)12/h4H,2-3,5H2,1H3
InChIKeyGZRHGUBXTIOCJD-UHFFFAOYSA-N
XLogP4.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The IUPAC name of 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (CID 12993973) is 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The canonical SMILES for 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is CSCc1coc(SCCC(F)=C(F)F)n1.
What is the InChIKey of 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The InChIKey is GZRHGUBXTIOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS2/c1-15-5-6-4-14-9(13-6)16-3-2-7(10)8(11)12/h4H,2-3,5H2,1H3.
What are the key properties of 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole has a molecular weight of 269.31 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 12993973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).