(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate

C4H6F6O5S4 — CID 23649989

IUPAC(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESCSSC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F6O5S2.C2H6S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-3-4-2/h;1-2H3
InChIKeyBDNSYKYMRTZMPU-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.33
Rot. Bonds3

About (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate

(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 23649989) has the molecular formula C4H6F6O5S4 and a molecular weight of 376.34 g/mol. Its IUPAC name is (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

Compound Name(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate
PubChem CID23649989
Molecular FormulaC4H6F6O5S4
Molecular Weight376.34 g/mol
Exact Mass375.90
IUPAC Name(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESCSSC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F6O5S2.C2H6S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-3-4-2/h;1-2H3
InChIKeyBDNSYKYMRTZMPU-UHFFFAOYSA-N
XLogP2.33
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate?
The IUPAC name of (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 23649989) is (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate.
What is the SMILES notation for (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate?
The canonical SMILES for (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate is CSSC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate?
The InChIKey is BDNSYKYMRTZMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O5S2.C2H6S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8;1-3-4-2/h;1-2H3.
What are the key properties of (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate?
(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 376.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 23649989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).