1,1,1-trifluoro-2-methylsulfanylethane

C3H5F3S — CID 13360361

IUPAC1,1,1-trifluoro-2-methylsulfanylethane
SMILESCSCC(F)(F)F
InChIInChI=1S/C3H5F3S/c1-7-2-3(4,5)6/h2H2,1H3
InChIKeyBFCDSMUHBKMJDB-UHFFFAOYSA-N
MW130.13 g/mol
LogP1.91
Rot. Bonds1

About 1,1,1-trifluoro-2-methylsulfanylethane

1,1,1-trifluoro-2-methylsulfanylethane (PubChem CID 13360361) has the molecular formula C3H5F3S and a molecular weight of 130.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylsulfanylethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylsulfanylethane
PubChem CID13360361
Molecular FormulaC3H5F3S
Molecular Weight130.13 g/mol
Exact Mass130.01
IUPAC Name1,1,1-trifluoro-2-methylsulfanylethane
SMILESCSCC(F)(F)F
InChIInChI=1S/C3H5F3S/c1-7-2-3(4,5)6/h2H2,1H3
InChIKeyBFCDSMUHBKMJDB-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylsulfanylethane?
The IUPAC name of 1,1,1-trifluoro-2-methylsulfanylethane (CID 13360361) is 1,1,1-trifluoro-2-methylsulfanylethane.
What is the SMILES notation for 1,1,1-trifluoro-2-methylsulfanylethane?
The canonical SMILES for 1,1,1-trifluoro-2-methylsulfanylethane is CSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylsulfanylethane?
The InChIKey is BFCDSMUHBKMJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3S/c1-7-2-3(4,5)6/h2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-methylsulfanylethane?
1,1,1-trifluoro-2-methylsulfanylethane has a molecular weight of 130.13 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methylsulfanylethane is sourced from PubChem (CID 13360361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).