1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine

C9H23N3S — CID 123468608

IUPAC1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine
SMILESCCS(C)(C)N(C)/C(=N/C)N(C)C
InChIInChI=1S/C9H23N3S/c1-8-13(6,7)12(5)9(10-2)11(3)4/h8H2,1-7H3/b10-9+
InChIKeyQLGMZQYLKGSJSS-MDZDMXLPSA-N
MW205.37 g/mol
LogP1.46
Rot. Bonds2

About 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine

1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine (PubChem CID 123468608) has the molecular formula C9H23N3S and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine.

Molecular Properties

Compound Name1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine
PubChem CID123468608
Molecular FormulaC9H23N3S
Molecular Weight205.37 g/mol
Exact Mass205.16
IUPAC Name1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine
SMILESCCS(C)(C)N(C)/C(=N/C)N(C)C
InChIInChI=1S/C9H23N3S/c1-8-13(6,7)12(5)9(10-2)11(3)4/h8H2,1-7H3/b10-9+
InChIKeyQLGMZQYLKGSJSS-MDZDMXLPSA-N
XLogP1.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine?
The IUPAC name of 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine (CID 123468608) is 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine.
What is the SMILES notation for 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine?
The canonical SMILES for 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine is CCS(C)(C)N(C)/C(=N/C)N(C)C.
What is the InChIKey of 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine?
The InChIKey is QLGMZQYLKGSJSS-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H23N3S/c1-8-13(6,7)12(5)9(10-2)11(3)4/h8H2,1-7H3/b10-9+.
What are the key properties of 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine?
1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine has a molecular weight of 205.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(dimethyl)-λ4-sulfanyl]-1,2,3,3-tetramethylguanidine is sourced from PubChem (CID 123468608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).