tris(2-amino-3-sulfanylpropanoate);arsenic(3+)

C9H24AsN3O6S3 — CID 73294154

IUPACtris(2-amino-3-sulfanylpropanoate);arsenic(3+)
SMILESNC(CS)C(=O)[O-].NC(CS)C(=O)[O-].NC(CS)C(=O)[O-].[AsH6+3]
InChIInChI=1S/3C3H7NO2S.AsH6/c3*4-2(1-7)3(5)6;/h3*2,7H,1,4H2,(H,5,6);1H6/q;;;+3/p-3
InChIKeyAEABJBQYFQWVOL-UHFFFAOYSA-K
MW441.43 g/mol
LogP-8.01
Rot. Bonds6

About tris(2-amino-3-sulfanylpropanoate);arsenic(3+)

tris(2-amino-3-sulfanylpropanoate);arsenic(3+) (PubChem CID 73294154) has the molecular formula C9H24AsN3O6S3 and a molecular weight of 441.43 g/mol. Its IUPAC name is tris(2-amino-3-sulfanylpropanoate);arsenic(3+).

Molecular Properties

Compound Nametris(2-amino-3-sulfanylpropanoate);arsenic(3+)
PubChem CID73294154
Molecular FormulaC9H24AsN3O6S3
Molecular Weight441.43 g/mol
Exact Mass441.00
IUPAC Nametris(2-amino-3-sulfanylpropanoate);arsenic(3+)
SMILESNC(CS)C(=O)[O-].NC(CS)C(=O)[O-].NC(CS)C(=O)[O-].[AsH6+3]
InChIInChI=1S/3C3H7NO2S.AsH6/c3*4-2(1-7)3(5)6;/h3*2,7H,1,4H2,(H,5,6);1H6/q;;;+3/p-3
InChIKeyAEABJBQYFQWVOL-UHFFFAOYSA-K
XLogP-8.01
TPSA198.45 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500441.43
LogP ≤ 5-8.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride
CID 16747163
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
sodium 2-amino-3-hydroxypropanoate
CID 23676048
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
dizinc;2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate;(2S)-2-amino-4-methylsulfanylbutanoate;(2R)-2-amino-3-sulfanylpropanoate
CID 173395298
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
2-amino-3-sulfanylpropanoic acid
CID 21459566
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate
CID 167600455
copper;octakis(2-aminoacetic acid);bis((2S)-2-amino-4-methylpentanoic acid);tetrakis((2S)-2-aminopropanoic acid);bis((2R)-2-amino-3-sulfanylpropanoate)
CID 173087541
2-amino-3-sulfanylpropanoyl chloride
CID 23199161
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150

Frequently Asked Questions

What is the IUPAC name of tris(2-amino-3-sulfanylpropanoate);arsenic(3+)?
The IUPAC name of tris(2-amino-3-sulfanylpropanoate);arsenic(3+) (CID 73294154) is tris(2-amino-3-sulfanylpropanoate);arsenic(3+).
What is the SMILES notation for tris(2-amino-3-sulfanylpropanoate);arsenic(3+)?
The canonical SMILES for tris(2-amino-3-sulfanylpropanoate);arsenic(3+) is NC(CS)C(=O)[O-].NC(CS)C(=O)[O-].NC(CS)C(=O)[O-].[AsH6+3].
What is the InChIKey of tris(2-amino-3-sulfanylpropanoate);arsenic(3+)?
The InChIKey is AEABJBQYFQWVOL-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H7NO2S.AsH6/c3*4-2(1-7)3(5)6;/h3*2,7H,1,4H2,(H,5,6);1H6/q;;;+3/p-3.
What are the key properties of tris(2-amino-3-sulfanylpropanoate);arsenic(3+)?
tris(2-amino-3-sulfanylpropanoate);arsenic(3+) has a molecular weight of 441.43 g/mol, XLogP of -8.01, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-amino-3-sulfanylpropanoate);arsenic(3+) is sourced from PubChem (CID 73294154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).