1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine

C12H29N3S — CID 123733842

IUPAC1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine
SMILESCC/N=C(\N(CC)CC)N(CC)S(C)(C)C
InChIInChI=1S/C12H29N3S/c1-8-13-12(14(9-2)10-3)15(11-4)16(5,6)7/h8-11H2,1-7H3/b13-12+
InChIKeyJZHGGTSJICKXNP-OUKQBFOZSA-N
MW247.45 g/mol
LogP2.63
Rot. Bonds5

About 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine

1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine (PubChem CID 123733842) has the molecular formula C12H29N3S and a molecular weight of 247.45 g/mol. Its IUPAC name is 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine.

Molecular Properties

Compound Name1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine
PubChem CID123733842
Molecular FormulaC12H29N3S
Molecular Weight247.45 g/mol
Exact Mass247.21
IUPAC Name1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine
SMILESCC/N=C(\N(CC)CC)N(CC)S(C)(C)C
InChIInChI=1S/C12H29N3S/c1-8-13-12(14(9-2)10-3)15(11-4)16(5,6)7/h8-11H2,1-7H3/b13-12+
InChIKeyJZHGGTSJICKXNP-OUKQBFOZSA-N
XLogP2.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine?
The IUPAC name of 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine (CID 123733842) is 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine.
What is the SMILES notation for 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine?
The canonical SMILES for 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine is CC/N=C(\N(CC)CC)N(CC)S(C)(C)C.
What is the InChIKey of 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine?
The InChIKey is JZHGGTSJICKXNP-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H29N3S/c1-8-13-12(14(9-2)10-3)15(11-4)16(5,6)7/h8-11H2,1-7H3/b13-12+.
What are the key properties of 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine?
1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine has a molecular weight of 247.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetraethyl-3-(trimethyl-λ4-sulfanyl)guanidine is sourced from PubChem (CID 123733842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).