1,2-bis(trifluoromethylsulfanyl)ethane

C4H4F6S2 — CID 154097976

IUPAC1,2-bis(trifluoromethylsulfanyl)ethane
SMILESFC(F)(F)SCCSC(F)(F)F
InChIInChI=1S/C4H4F6S2/c5-3(6,7)11-1-2-12-4(8,9)10/h1-2H2
InChIKeyKNHDRYYQSHYDCV-UHFFFAOYSA-N
MW230.20 g/mol
LogP3.49
Rot. Bonds3

About 1,2-bis(trifluoromethylsulfanyl)ethane

1,2-bis(trifluoromethylsulfanyl)ethane (PubChem CID 154097976) has the molecular formula C4H4F6S2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1,2-bis(trifluoromethylsulfanyl)ethane.

Molecular Properties

Compound Name1,2-bis(trifluoromethylsulfanyl)ethane
PubChem CID154097976
Molecular FormulaC4H4F6S2
Molecular Weight230.20 g/mol
Exact Mass229.97
IUPAC Name1,2-bis(trifluoromethylsulfanyl)ethane
SMILESFC(F)(F)SCCSC(F)(F)F
InChIInChI=1S/C4H4F6S2/c5-3(6,7)11-1-2-12-4(8,9)10/h1-2H2
InChIKeyKNHDRYYQSHYDCV-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethylsulfanyl)ethanamine chloride
CID 75530521
3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol
CID 116616904
3-(trifluoromethylsulfanyl)propan-1-amine chloride
CID 75530535
4-(trifluoromethylsulfanyl)but-1-yne
CID 141487425
1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine
CID 116616183
trifluoromethylsulfanylmethanamine
CID 87937224
N-methoxy-2-(trifluoromethylsulfanyl)ethanamine
CID 116615600
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]butanoic acid
CID 105353661
4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
4-chloro-1-(trifluoromethylsulfanyl)pentane
CID 116617359
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767
1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,6-dione
CID 116617522

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(trifluoromethylsulfanyl)ethane?
The IUPAC name of 1,2-bis(trifluoromethylsulfanyl)ethane (CID 154097976) is 1,2-bis(trifluoromethylsulfanyl)ethane.
What is the SMILES notation for 1,2-bis(trifluoromethylsulfanyl)ethane?
The canonical SMILES for 1,2-bis(trifluoromethylsulfanyl)ethane is FC(F)(F)SCCSC(F)(F)F.
What is the InChIKey of 1,2-bis(trifluoromethylsulfanyl)ethane?
The InChIKey is KNHDRYYQSHYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6S2/c5-3(6,7)11-1-2-12-4(8,9)10/h1-2H2.
What are the key properties of 1,2-bis(trifluoromethylsulfanyl)ethane?
1,2-bis(trifluoromethylsulfanyl)ethane has a molecular weight of 230.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(trifluoromethylsulfanyl)ethane is sourced from PubChem (CID 154097976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).