2-ethylsulfinylsulfinylguanidine

C3H9N3O2S2 — CID 54154071

IUPAC2-ethylsulfinylsulfinylguanidine
SMILESCCS(=O)S(=O)N=C(N)N
InChIInChI=1S/C3H9N3O2S2/c1-2-9(7)10(8)6-3(4)5/h2H2,1H3,(H4,4,5,6)
InChIKeyOJUNDBSOVKCCFY-UHFFFAOYSA-N
MW183.26 g/mol
LogP-1.39
Rot. Bonds3

About 2-ethylsulfinylsulfinylguanidine

2-ethylsulfinylsulfinylguanidine (PubChem CID 54154071) has the molecular formula C3H9N3O2S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-ethylsulfinylsulfinylguanidine.

Molecular Properties

Compound Name2-ethylsulfinylsulfinylguanidine
PubChem CID54154071
Molecular FormulaC3H9N3O2S2
Molecular Weight183.26 g/mol
Exact Mass183.01
IUPAC Name2-ethylsulfinylsulfinylguanidine
SMILESCCS(=O)S(=O)N=C(N)N
InChIInChI=1S/C3H9N3O2S2/c1-2-9(7)10(8)6-3(4)5/h2H2,1H3,(H4,4,5,6)
InChIKeyOJUNDBSOVKCCFY-UHFFFAOYSA-N
XLogP-1.39
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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-ethylsulfinylsulfinylguanidine?
The IUPAC name of 2-ethylsulfinylsulfinylguanidine (CID 54154071) is 2-ethylsulfinylsulfinylguanidine.
What is the SMILES notation for 2-ethylsulfinylsulfinylguanidine?
The canonical SMILES for 2-ethylsulfinylsulfinylguanidine is CCS(=O)S(=O)N=C(N)N.
What is the InChIKey of 2-ethylsulfinylsulfinylguanidine?
The InChIKey is OJUNDBSOVKCCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2S2/c1-2-9(7)10(8)6-3(4)5/h2H2,1H3,(H4,4,5,6).
What are the key properties of 2-ethylsulfinylsulfinylguanidine?
2-ethylsulfinylsulfinylguanidine has a molecular weight of 183.26 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylsulfinylguanidine is sourced from PubChem (CID 54154071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).