1,2-bis(trifluoromethylsulfanyl)benzene

C8H4F6S2 — CID 90684724

IUPAC1,2-bis(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccccc1SC(F)(F)F
InChIInChI=1S/C8H4F6S2/c9-7(10,11)15-5-3-1-2-4-6(5)16-8(12,13)14/h1-4H
InChIKeyIHMBBOSGRVMMFT-UHFFFAOYSA-N
MW278.24 g/mol
LogP4.91
Rot. Bonds2

About 1,2-bis(trifluoromethylsulfanyl)benzene

1,2-bis(trifluoromethylsulfanyl)benzene (PubChem CID 90684724) has the molecular formula C8H4F6S2 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1,2-bis(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2-bis(trifluoromethylsulfanyl)benzene
PubChem CID90684724
Molecular FormulaC8H4F6S2
Molecular Weight278.24 g/mol
Exact Mass277.97
IUPAC Name1,2-bis(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccccc1SC(F)(F)F
InChIInChI=1S/C8H4F6S2/c9-7(10,11)15-5-3-1-2-4-6(5)16-8(12,13)14/h1-4H
InChIKeyIHMBBOSGRVMMFT-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1,2-bis(trifluoromethylsulfanyl)benzene (CID 90684724) is 1,2-bis(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1,2-bis(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1,2-bis(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccccc1SC(F)(F)F.
What is the InChIKey of 1,2-bis(trifluoromethylsulfanyl)benzene?
The InChIKey is IHMBBOSGRVMMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6S2/c9-7(10,11)15-5-3-1-2-4-6(5)16-8(12,13)14/h1-4H.
What are the key properties of 1,2-bis(trifluoromethylsulfanyl)benzene?
1,2-bis(trifluoromethylsulfanyl)benzene has a molecular weight of 278.24 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 90684724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).