(2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten

C8H17N2O2S2W- — CID 158594528

IUPAC(2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten
SMILESC.CC(=S)SCC(N)=O.[CH2-]NC(C)=O.[W]
InChIInChI=1S/C4H7NOS2.C3H6NO.CH4.W/c1-3(7)8-2-4(5)6;1-3(5)4-2;;/h2H2,1H3,(H2,5,6);2H2,1H3,(H,4,5);1H4;/q;-1;;
InChIKeyPUYFHEZKSCKMNE-UHFFFAOYSA-N
MW421.21 g/mol
LogP1.10
Rot. Bonds2

About (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten

(2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten (PubChem CID 158594528) has the molecular formula C8H17N2O2S2W- and a molecular weight of 421.21 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten
PubChem CID158594528
Molecular FormulaC8H17N2O2S2W-
Molecular Weight421.21 g/mol
Exact Mass421.02
IUPAC Name(2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten
SMILESC.CC(=S)SCC(N)=O.[CH2-]NC(C)=O.[W]
InChIInChI=1S/C4H7NOS2.C3H6NO.CH4.W/c1-3(7)8-2-4(5)6;1-3(5)4-2;;/h2H2,1H3,(H2,5,6);2H2,1H3,(H,4,5);1H4;/q;-1;;
InChIKeyPUYFHEZKSCKMNE-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-(2-amino-2-oxoethyl) ethanethioate
CID 5108277
2-oxopropyl ethanedithioate
CID 89230036
ethanethioylsulfanyl 2-ethanethioylsulfanylacetate
CID 175129120
(2-amino-2-oxoethyl) 4-methylpiperidine-1-carbodithioate
CID 4008886
3-ethanethioylsulfanylpropyl ethanedithioate;formaldehyde;methane
CID 157267642
carbamodithioic acid;N-hydroxyacetamide
CID 174762397
acetamide;ethanethioamide
CID 159993772
tert-butyl (2-amino-2-oxoethyl)sulfanylformate
CID 174594780
2-diazenylsulfanylacetamide
CID 174451264
methane;propanamide
CID 160666730
2-(difluoromethylsulfanyl)acetamide
CID 54095532
azane;3-oxobutanamide
CID 172802770

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten?
The IUPAC name of (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten (CID 158594528) is (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten.
What is the SMILES notation for (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten?
The canonical SMILES for (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten is C.CC(=S)SCC(N)=O.[CH2-]NC(C)=O.[W].
What is the InChIKey of (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten?
The InChIKey is PUYFHEZKSCKMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS2.C3H6NO.CH4.W/c1-3(7)8-2-4(5)6;1-3(5)4-2;;/h2H2,1H3,(H2,5,6);2H2,1H3,(H,4,5);1H4;/q;-1;;.
What are the key properties of (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten?
(2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten has a molecular weight of 421.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) ethanedithioate;methane;N-methanidylacetamide;tungsten is sourced from PubChem (CID 158594528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).