sodium 2-[methyl(sulfidocarbothioyl)amino]acetate

C4H5NNaO2S2- — CID 102587922

IUPACsodium 2-[methyl(sulfidocarbothioyl)amino]acetate
SMILESCN(CC(=O)[O-])C(=S)[S-].[Na+]
InChIInChI=1S/C4H7NO2S2.Na/c1-5(4(8)9)2-3(6)7;/h2H2,1H3,(H,6,7)(H,8,9);/q;+1/p-2
InChIKeyYMSOCIQKBFCPNA-UHFFFAOYSA-L
MW186.21 g/mol
LogP-4.50
Rot. Bonds2

About sodium 2-[methyl(sulfidocarbothioyl)amino]acetate

sodium 2-[methyl(sulfidocarbothioyl)amino]acetate (PubChem CID 102587922) has the molecular formula C4H5NNaO2S2- and a molecular weight of 186.21 g/mol. Its IUPAC name is sodium 2-[methyl(sulfidocarbothioyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[methyl(sulfidocarbothioyl)amino]acetate
PubChem CID102587922
Molecular FormulaC4H5NNaO2S2-
Molecular Weight186.21 g/mol
Exact Mass185.97
IUPAC Namesodium 2-[methyl(sulfidocarbothioyl)amino]acetate
SMILESCN(CC(=O)[O-])C(=S)[S-].[Na+]
InChIInChI=1S/C4H7NO2S2.Na/c1-5(4(8)9)2-3(6)7;/h2H2,1H3,(H,6,7)(H,8,9);/q;+1/p-2
InChIKeyYMSOCIQKBFCPNA-UHFFFAOYSA-L
XLogP-4.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-4.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

sodium 2-(dimethylamino)acetate
CID 23695761
2-[(2-azaniumylacetyl)-methylamino]acetate
CID 6995175
copper bis(N-ethyl-N-methylcarbamodithioate)
CID 18793600
trisodium;acetate;carbonate
CID 169079974
sodium 2-[methyl-[(Z)-N'-phosphonocarbamimidoyl]amino]acetate
CID 138395770
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
sodium;2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetate;hexahydrate
CID 127255859
sodium;2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetate;hexahydrate
CID 135742694
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
sodium 2-[methyl(16-methylheptadecanoyl)amino]acetate
CID 166060190

Frequently Asked Questions

What is the IUPAC name of sodium 2-[methyl(sulfidocarbothioyl)amino]acetate?
The IUPAC name of sodium 2-[methyl(sulfidocarbothioyl)amino]acetate (CID 102587922) is sodium 2-[methyl(sulfidocarbothioyl)amino]acetate.
What is the SMILES notation for sodium 2-[methyl(sulfidocarbothioyl)amino]acetate?
The canonical SMILES for sodium 2-[methyl(sulfidocarbothioyl)amino]acetate is CN(CC(=O)[O-])C(=S)[S-].[Na+].
What is the InChIKey of sodium 2-[methyl(sulfidocarbothioyl)amino]acetate?
The InChIKey is YMSOCIQKBFCPNA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7NO2S2.Na/c1-5(4(8)9)2-3(6)7;/h2H2,1H3,(H,6,7)(H,8,9);/q;+1/p-2.
What are the key properties of sodium 2-[methyl(sulfidocarbothioyl)amino]acetate?
sodium 2-[methyl(sulfidocarbothioyl)amino]acetate has a molecular weight of 186.21 g/mol, XLogP of -4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[methyl(sulfidocarbothioyl)amino]acetate is sourced from PubChem (CID 102587922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).