cesium dimethylamino(sulfanylidene)methaneselenolate

C3H6CsNSSe — CID 102272545

IUPACcesium dimethylamino(sulfanylidene)methaneselenolate
SMILESCN(C)C(=S)[Se-].[Cs+]
InChIInChI=1S/C3H7NSSe.Cs/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyWZTBYUSQGUZMCD-UHFFFAOYSA-M
MW300.02 g/mol
LogP-2.99
Rot. Bonds

About cesium dimethylamino(sulfanylidene)methaneselenolate

cesium dimethylamino(sulfanylidene)methaneselenolate (PubChem CID 102272545) has the molecular formula C3H6CsNSSe and a molecular weight of 300.02 g/mol. Its IUPAC name is cesium dimethylamino(sulfanylidene)methaneselenolate.

Molecular Properties

Compound Namecesium dimethylamino(sulfanylidene)methaneselenolate
PubChem CID102272545
Molecular FormulaC3H6CsNSSe
Molecular Weight300.02 g/mol
Exact Mass300.84
IUPAC Namecesium dimethylamino(sulfanylidene)methaneselenolate
SMILESCN(C)C(=S)[Se-].[Cs+]
InChIInChI=1S/C3H7NSSe.Cs/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyWZTBYUSQGUZMCD-UHFFFAOYSA-M
XLogP-2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.02
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylcarbamothioyl fluoride
CID 71367406
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
CID 54599967
CID 54599967
N,N-dimethylethanethioamide;hydrazine
CID 159847458
potassium N,N-dimethylcarbamodithioate
CID 23662387
sodium dimethylcarbamodithioic acid
CID 19877808
cerium;dimethylcarbamodithioic acid
CID 174758864
O-hydroxy N,N-dimethylcarbamothioate
CID 126671146
disodium;dimethylcarbamodithioic acid;hydride
CID 174615347
CID 156614162
CID 156614162

Frequently Asked Questions

What is the IUPAC name of cesium dimethylamino(sulfanylidene)methaneselenolate?
The IUPAC name of cesium dimethylamino(sulfanylidene)methaneselenolate (CID 102272545) is cesium dimethylamino(sulfanylidene)methaneselenolate.
What is the SMILES notation for cesium dimethylamino(sulfanylidene)methaneselenolate?
The canonical SMILES for cesium dimethylamino(sulfanylidene)methaneselenolate is CN(C)C(=S)[Se-].[Cs+].
What is the InChIKey of cesium dimethylamino(sulfanylidene)methaneselenolate?
The InChIKey is WZTBYUSQGUZMCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NSSe.Cs/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1.
What are the key properties of cesium dimethylamino(sulfanylidene)methaneselenolate?
cesium dimethylamino(sulfanylidene)methaneselenolate has a molecular weight of 300.02 g/mol, XLogP of -2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium dimethylamino(sulfanylidene)methaneselenolate is sourced from PubChem (CID 102272545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).