carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium

C7H19OS2W2Y- — CID 159337254

IUPACcarbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium
SMILESC.C.CC(=O)[S-].[CH2-]SC.[CH3-].[W+2].[W].[Y]
InChIInChI=1S/C2H4OS.C2H5S.2CH4.CH3.2W.Y/c1-2(3)4;1-3-2;;;;;;/h1H3,(H,3,4);1H2,2H3;2*1H4;1H3;;;/q;-1;;;-1;;+2;/p-1
InChIKeyVTHQRIBJQFBFMF-UHFFFAOYSA-M
MW639.95 g/mol
LogP2.94
Rot. Bonds

About carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium

carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium (PubChem CID 159337254) has the molecular formula C7H19OS2W2Y- and a molecular weight of 639.95 g/mol. Its IUPAC name is carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium.

Molecular Properties

Compound Namecarbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium
PubChem CID159337254
Molecular FormulaC7H19OS2W2Y-
Molecular Weight639.95 g/mol
Exact Mass639.90
IUPAC Namecarbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium
SMILESC.C.CC(=O)[S-].[CH2-]SC.[CH3-].[W+2].[W].[Y]
InChIInChI=1S/C2H4OS.C2H5S.2CH4.CH3.2W.Y/c1-2(3)4;1-3-2;;;;;;/h1H3,(H,3,4);1H2,2H3;2*1H4;1H3;;;/q;-1;;;-1;;+2;/p-1
InChIKeyVTHQRIBJQFBFMF-UHFFFAOYSA-M
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.95
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

barium(2+);ethanethioate
CID 10469325
sodium methylsulfanylmethanethioate
CID 23687617
butane;ethanethioate;tin(2+)
CID 171375475
carbanide;propan-2-one;vanadium(2+)
CID 153454963
acetic acid;carbanide;methane;N-methylacetamide;propan-2-one;bis(yttrium)
CID 159851547
acetic acid;tris(yttrium)
CID 59994727
bis(butan-2-one);methane
CID 160665705
tricalcium;acetate;carbonate;chloride
CID 159671387
ethanethioic S-acid;methane;methanol;S-methyl ethanethioate
CID 159638519
carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)
CID 159502208
carbanide;ethane;methane;tetradecakis(yttrium)
CID 163542772
carbanide;ethane;methane;yttrium
CID 160665272

Frequently Asked Questions

What is the IUPAC name of carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium?
The IUPAC name of carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium (CID 159337254) is carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium.
What is the SMILES notation for carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium?
The canonical SMILES for carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium is C.C.CC(=O)[S-].[CH2-]SC.[CH3-].[W+2].[W].[Y].
What is the InChIKey of carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium?
The InChIKey is VTHQRIBJQFBFMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4OS.C2H5S.2CH4.CH3.2W.Y/c1-2(3)4;1-3-2;;;;;;/h1H3,(H,3,4);1H2,2H3;2*1H4;1H3;;;/q;-1;;;-1;;+2;/p-1.
What are the key properties of carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium?
carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium has a molecular weight of 639.95 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethanethioate;methane;methanidylsulfanylmethane;tungsten;tungsten(2+);yttrium is sourced from PubChem (CID 159337254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).