1,1-difluoro-2-(hydroxysulfonothioylamino)ethane

C2H5F2NO2S2 — CID 166819670

IUPAC1,1-difluoro-2-(hydroxysulfonothioylamino)ethane
SMILESO=S(O)(=S)NCC(F)F
InChIInChI=1S/C2H5F2NO2S2/c3-2(4)1-5-9(6,7)8/h2,5H,1H2,(H,6,7,8)
InChIKeyKKLMNKKEJXYOSE-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.02
Rot. Bonds3

About 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane

1,1-difluoro-2-(hydroxysulfonothioylamino)ethane (PubChem CID 166819670) has the molecular formula C2H5F2NO2S2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane.

Molecular Properties

Compound Name1,1-difluoro-2-(hydroxysulfonothioylamino)ethane
PubChem CID166819670
Molecular FormulaC2H5F2NO2S2
Molecular Weight177.20 g/mol
Exact Mass176.97
IUPAC Name1,1-difluoro-2-(hydroxysulfonothioylamino)ethane
SMILESO=S(O)(=S)NCC(F)F
InChIInChI=1S/C2H5F2NO2S2/c3-2(4)1-5-9(6,7)8/h2,5H,1H2,(H,6,7,8)
InChIKeyKKLMNKKEJXYOSE-UHFFFAOYSA-N
XLogP-0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane?
The IUPAC name of 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane (CID 166819670) is 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane.
What is the SMILES notation for 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane?
The canonical SMILES for 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane is O=S(O)(=S)NCC(F)F.
What is the InChIKey of 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane?
The InChIKey is KKLMNKKEJXYOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO2S2/c3-2(4)1-5-9(6,7)8/h2,5H,1H2,(H,6,7,8).
What are the key properties of 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane?
1,1-difluoro-2-(hydroxysulfonothioylamino)ethane has a molecular weight of 177.20 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(hydroxysulfonothioylamino)ethane is sourced from PubChem (CID 166819670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).