di(ethanethioyl)-sulfidoazanium

C4H7NS3 — CID 141485228

IUPACdi(ethanethioyl)-sulfidoazanium
SMILESCC(=S)[NH+]([S-])C(C)=S
InChIInChI=1S/C4H7NS3/c1-3(6)5(8)4(2)7/h5H,1-2H3
InChIKeyVXRQBVHMYBJVQQ-UHFFFAOYSA-N
MW165.31 g/mol
LogP0.03
Rot. Bonds

About di(ethanethioyl)-sulfidoazanium

di(ethanethioyl)-sulfidoazanium (PubChem CID 141485228) has the molecular formula C4H7NS3 and a molecular weight of 165.31 g/mol. Its IUPAC name is di(ethanethioyl)-sulfidoazanium.

Molecular Properties

Compound Namedi(ethanethioyl)-sulfidoazanium
PubChem CID141485228
Molecular FormulaC4H7NS3
Molecular Weight165.31 g/mol
Exact Mass164.97
IUPAC Namedi(ethanethioyl)-sulfidoazanium
SMILESCC(=S)[NH+]([S-])C(C)=S
InChIInChI=1S/C4H7NS3/c1-3(6)5(8)4(2)7/h5H,1-2H3
InChIKeyVXRQBVHMYBJVQQ-UHFFFAOYSA-N
XLogP0.03
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

potassium ethanedithioate
CID 21335195
2-methylpropanedithioate
CID 19087069
cobalt;bis(ethanethioic O-acid)
CID 178067462
N-chloro-N-propan-2-ylethanethioamide
CID 155426886
N-ethanethioyl-N-sulfidoethanethioamide
CID 141485229
ethanethioamide;λ2-plumbane
CID 174888754
(3S)-3,4-dimethylpentane-2-thione
CID 153298287
N-(2-fluoroethyl)propanethioamide
CID 175723324
carbamothioyl-oxalo-sulfidoazanium
CID 21284109
3-ethanethioylpentane-2,4-dione
CID 23346848
1,1-dimethoxypropane-2-thione
CID 87220026
carbanide;ethanethioylazanide;yttrium
CID 58458948

Frequently Asked Questions

What is the IUPAC name of di(ethanethioyl)-sulfidoazanium?
The IUPAC name of di(ethanethioyl)-sulfidoazanium (CID 141485228) is di(ethanethioyl)-sulfidoazanium.
What is the SMILES notation for di(ethanethioyl)-sulfidoazanium?
The canonical SMILES for di(ethanethioyl)-sulfidoazanium is CC(=S)[NH+]([S-])C(C)=S.
What is the InChIKey of di(ethanethioyl)-sulfidoazanium?
The InChIKey is VXRQBVHMYBJVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS3/c1-3(6)5(8)4(2)7/h5H,1-2H3.
What are the key properties of di(ethanethioyl)-sulfidoazanium?
di(ethanethioyl)-sulfidoazanium has a molecular weight of 165.31 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(ethanethioyl)-sulfidoazanium is sourced from PubChem (CID 141485228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).