2-ethylsulfonylethenyl carbamimidothioate

C5H10N2O2S2 — CID 2827191

IUPAC2-ethylsulfonylethenyl carbamimidothioate
SMILES[H]/N=C(\N)SC=CS(=O)(=O)CC
InChIInChI=1S/C5H10N2O2S2/c1-2-11(8,9)4-3-10-5(6)7/h3-4H,2H2,1H3,(H3,6,7)
InChIKeyPFLBYQIKOFSMLA-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.52
Rot. Bonds3

About 2-ethylsulfonylethenyl carbamimidothioate

2-ethylsulfonylethenyl carbamimidothioate (PubChem CID 2827191) has the molecular formula C5H10N2O2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethylsulfonylethenyl carbamimidothioate.

Molecular Properties

Compound Name2-ethylsulfonylethenyl carbamimidothioate
PubChem CID2827191
Molecular FormulaC5H10N2O2S2
Molecular Weight194.28 g/mol
Exact Mass194.02
IUPAC Name2-ethylsulfonylethenyl carbamimidothioate
SMILES[H]/N=C(\N)SC=CS(=O)(=O)CC
InChIInChI=1S/C5H10N2O2S2/c1-2-11(8,9)4-3-10-5(6)7/h3-4H,2H2,1H3,(H3,6,7)
InChIKeyPFLBYQIKOFSMLA-UHFFFAOYSA-N
XLogP0.52
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylethenyl carbamimidothioate?
The IUPAC name of 2-ethylsulfonylethenyl carbamimidothioate (CID 2827191) is 2-ethylsulfonylethenyl carbamimidothioate.
What is the SMILES notation for 2-ethylsulfonylethenyl carbamimidothioate?
The canonical SMILES for 2-ethylsulfonylethenyl carbamimidothioate is [H]/N=C(\N)SC=CS(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonylethenyl carbamimidothioate?
The InChIKey is PFLBYQIKOFSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S2/c1-2-11(8,9)4-3-10-5(6)7/h3-4H,2H2,1H3,(H3,6,7).
What are the key properties of 2-ethylsulfonylethenyl carbamimidothioate?
2-ethylsulfonylethenyl carbamimidothioate has a molecular weight of 194.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethenyl carbamimidothioate is sourced from PubChem (CID 2827191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).