bismuth;2-amino-3-sulfanylpropanoic acid;nitrate

C3H7BiN2O5S+2 — CID 21146932

IUPACbismuth;2-amino-3-sulfanylpropanoic acid;nitrate
SMILESNC(CS)C(=O)O.O=[N+]([O-])[O-].[Bi+3]
InChIInChI=1S/C3H7NO2S.Bi.NO3/c4-2(1-7)3(5)6;;2-1(3)4/h2,7H,1,4H2,(H,5,6);;/q;+3;-1
InChIKeyFLJTYZKOGMZRKE-UHFFFAOYSA-N
MW392.15 g/mol
LogP-1.29
Rot. Bonds2

About bismuth;2-amino-3-sulfanylpropanoic acid;nitrate

bismuth;2-amino-3-sulfanylpropanoic acid;nitrate (PubChem CID 21146932) has the molecular formula C3H7BiN2O5S+2 and a molecular weight of 392.15 g/mol. Its IUPAC name is bismuth;2-amino-3-sulfanylpropanoic acid;nitrate.

Molecular Properties

Compound Namebismuth;2-amino-3-sulfanylpropanoic acid;nitrate
PubChem CID21146932
Molecular FormulaC3H7BiN2O5S+2
Molecular Weight392.15 g/mol
Exact Mass391.99
IUPAC Namebismuth;2-amino-3-sulfanylpropanoic acid;nitrate
SMILESNC(CS)C(=O)O.O=[N+]([O-])[O-].[Bi+3]
InChIInChI=1S/C3H7NO2S.Bi.NO3/c4-2(1-7)3(5)6;;2-1(3)4/h2,7H,1,4H2,(H,5,6);;/q;+3;-1
InChIKeyFLJTYZKOGMZRKE-UHFFFAOYSA-N
XLogP-1.29
TPSA129.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.15
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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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;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
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

Frequently Asked Questions

What is the IUPAC name of bismuth;2-amino-3-sulfanylpropanoic acid;nitrate?
The IUPAC name of bismuth;2-amino-3-sulfanylpropanoic acid;nitrate (CID 21146932) is bismuth;2-amino-3-sulfanylpropanoic acid;nitrate.
What is the SMILES notation for bismuth;2-amino-3-sulfanylpropanoic acid;nitrate?
The canonical SMILES for bismuth;2-amino-3-sulfanylpropanoic acid;nitrate is NC(CS)C(=O)O.O=[N+]([O-])[O-].[Bi+3].
What is the InChIKey of bismuth;2-amino-3-sulfanylpropanoic acid;nitrate?
The InChIKey is FLJTYZKOGMZRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S.Bi.NO3/c4-2(1-7)3(5)6;;2-1(3)4/h2,7H,1,4H2,(H,5,6);;/q;+3;-1.
What are the key properties of bismuth;2-amino-3-sulfanylpropanoic acid;nitrate?
bismuth;2-amino-3-sulfanylpropanoic acid;nitrate has a molecular weight of 392.15 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;2-amino-3-sulfanylpropanoic acid;nitrate is sourced from PubChem (CID 21146932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).