2-amino-3-sulfanylpropanoic acid;hydrofluoride

C3H8FNO2S — CID 174867150

IUPAC2-amino-3-sulfanylpropanoic acid;hydrofluoride
SMILESF.NC(CS)C(=O)O
InChIInChI=1S/C3H7NO2S.FH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H
InChIKeyQQKOOMQEKYEODX-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.52
Rot. Bonds2

About 2-amino-3-sulfanylpropanoic acid;hydrofluoride

2-amino-3-sulfanylpropanoic acid;hydrofluoride (PubChem CID 174867150) has the molecular formula C3H8FNO2S and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-3-sulfanylpropanoic acid;hydrofluoride.

Molecular Properties

Compound Name2-amino-3-sulfanylpropanoic acid;hydrofluoride
PubChem CID174867150
Molecular FormulaC3H8FNO2S
Molecular Weight141.17 g/mol
Exact Mass141.03
IUPAC Name2-amino-3-sulfanylpropanoic acid;hydrofluoride
SMILESF.NC(CS)C(=O)O
InChIInChI=1S/C3H7NO2S.FH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H
InChIKeyQQKOOMQEKYEODX-UHFFFAOYSA-N
XLogP-0.52
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-sulfanylpropanoic acid;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-sulfanylpropanoic acid;hydrofluoride?
The IUPAC name of 2-amino-3-sulfanylpropanoic acid;hydrofluoride (CID 174867150) is 2-amino-3-sulfanylpropanoic acid;hydrofluoride.
What is the SMILES notation for 2-amino-3-sulfanylpropanoic acid;hydrofluoride?
The canonical SMILES for 2-amino-3-sulfanylpropanoic acid;hydrofluoride is F.NC(CS)C(=O)O.
What is the InChIKey of 2-amino-3-sulfanylpropanoic acid;hydrofluoride?
The InChIKey is QQKOOMQEKYEODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S.FH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H.
What are the key properties of 2-amino-3-sulfanylpropanoic acid;hydrofluoride?
2-amino-3-sulfanylpropanoic acid;hydrofluoride has a molecular weight of 141.17 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-sulfanylpropanoic acid;hydrofluoride is sourced from PubChem (CID 174867150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).