2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid

C4H8F3NO3S — CID 87521805

IUPAC2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCCNS
InChIInChI=1S/C2HF3O2.C2H7NOS/c3-2(4,5)1(6)7;4-2-1-3-5/h(H,6,7);3-5H,1-2H2
InChIKeyRRRBWIRLIDRPDA-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.05
Rot. Bonds2

About 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid

2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid (PubChem CID 87521805) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid
PubChem CID87521805
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCCNS
InChIInChI=1S/C2HF3O2.C2H7NOS/c3-2(4,5)1(6)7;4-2-1-3-5/h(H,6,7);3-5H,1-2H2
InChIKeyRRRBWIRLIDRPDA-UHFFFAOYSA-N
XLogP0.05
TPSA69.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Aminoethanol;2,2,2-trifluoroacetic acid
CID 13000305
2-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 21903073
2-Methoxyethylammonium trifluoroacetate
CID 22623616
2-Aminoethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86075939
1-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 87299528
3-Aminopropan-1-ol;2,2,2-trifluoroacetic acid
CID 87715709
1-Aminoethanol;2,2,2-trifluoroacetic acid
CID 171926606
1-Aminopropan-2-ol;2,2,2-trifluoroacetic acid
CID 174443957

Frequently Asked Questions

What is the IUPAC name of 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid (CID 87521805) is 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCCNS.
What is the InChIKey of 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is RRRBWIRLIDRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H7NOS/c3-2(4,5)1(6)7;4-2-1-3-5/h(H,6,7);3-5H,1-2H2.
What are the key properties of 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid?
2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 207.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylamino)ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87521805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).