2-ethylsulfinylethyl carbamimidothioate

C5H12N2OS2 — CID 2054872

IUPAC2-ethylsulfinylethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCS(=O)CC
InChIInChI=1S/C5H12N2OS2/c1-2-10(8)4-3-9-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKeyRIWFCINPQXOTCI-UHFFFAOYSA-N
MW180.30 g/mol
LogP0.38
Rot. Bonds4

About 2-ethylsulfinylethyl carbamimidothioate

2-ethylsulfinylethyl carbamimidothioate (PubChem CID 2054872) has the molecular formula C5H12N2OS2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-ethylsulfinylethyl carbamimidothioate.

Molecular Properties

Compound Name2-ethylsulfinylethyl carbamimidothioate
PubChem CID2054872
Molecular FormulaC5H12N2OS2
Molecular Weight180.30 g/mol
Exact Mass180.04
IUPAC Name2-ethylsulfinylethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCS(=O)CC
InChIInChI=1S/C5H12N2OS2/c1-2-10(8)4-3-9-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKeyRIWFCINPQXOTCI-UHFFFAOYSA-N
XLogP0.38
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
3-carbamimidoylsulfanylpropyl sulfite
CID 174735683
2-methylsulfonylethyl carbamimidothioate
CID 3799956
2-carbamimidoylsulfanylethyl N-methylcarbamate
CID 39388413
3-ethoxypropyl carbamimidothioate
CID 65212394
3,3-diethoxypropyl carbamimidothioate
CID 81090658
hexyl carbamimidothioate;thiourea;hydrobromide
CID 159769059
2-carbamimidamidoethyl carbamimidothioate;dihydrobromide
CID 176518669
2-carbamimidoylsulfanylethyl carbamimidothioate;2,2,2-trifluoroacetic acid
CID 54607664
6-hydroxyhexyl carbamimidothioate
CID 15370310
2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
CID 104568452
3-carbamimidoylsulfanylpropanoic acid;thiourea
CID 175930492

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylethyl carbamimidothioate?
The IUPAC name of 2-ethylsulfinylethyl carbamimidothioate (CID 2054872) is 2-ethylsulfinylethyl carbamimidothioate.
What is the SMILES notation for 2-ethylsulfinylethyl carbamimidothioate?
The canonical SMILES for 2-ethylsulfinylethyl carbamimidothioate is [H]/N=C(\N)SCCS(=O)CC.
What is the InChIKey of 2-ethylsulfinylethyl carbamimidothioate?
The InChIKey is RIWFCINPQXOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS2/c1-2-10(8)4-3-9-5(6)7/h2-4H2,1H3,(H3,6,7).
What are the key properties of 2-ethylsulfinylethyl carbamimidothioate?
2-ethylsulfinylethyl carbamimidothioate has a molecular weight of 180.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylethyl carbamimidothioate is sourced from PubChem (CID 2054872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).