1-ethyl-2-(ethylsulfanylmethyl)guanidine

C6H15N3S — CID 163421224

IUPAC1-ethyl-2-(ethylsulfanylmethyl)guanidine
SMILESCCNC(N)=NCSCC
InChIInChI=1S/C6H15N3S/c1-3-8-6(7)9-5-10-4-2/h3-5H2,1-2H3,(H3,7,8,9)
InChIKeyAIPLXNCSTFLATK-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.62
Rot. Bonds4

About 1-ethyl-2-(ethylsulfanylmethyl)guanidine

1-ethyl-2-(ethylsulfanylmethyl)guanidine (PubChem CID 163421224) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-ethyl-2-(ethylsulfanylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(ethylsulfanylmethyl)guanidine
PubChem CID163421224
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name1-ethyl-2-(ethylsulfanylmethyl)guanidine
SMILESCCNC(N)=NCSCC
InChIInChI=1S/C6H15N3S/c1-3-8-6(7)9-5-10-4-2/h3-5H2,1-2H3,(H3,7,8,9)
InChIKeyAIPLXNCSTFLATK-UHFFFAOYSA-N
XLogP0.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-ethyl-2-(ethylsulfanylmethyl)guanidine?
The IUPAC name of 1-ethyl-2-(ethylsulfanylmethyl)guanidine (CID 163421224) is 1-ethyl-2-(ethylsulfanylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(ethylsulfanylmethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(ethylsulfanylmethyl)guanidine is CCNC(N)=NCSCC.
What is the InChIKey of 1-ethyl-2-(ethylsulfanylmethyl)guanidine?
The InChIKey is AIPLXNCSTFLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-3-8-6(7)9-5-10-4-2/h3-5H2,1-2H3,(H3,7,8,9).
What are the key properties of 1-ethyl-2-(ethylsulfanylmethyl)guanidine?
1-ethyl-2-(ethylsulfanylmethyl)guanidine has a molecular weight of 161.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(ethylsulfanylmethyl)guanidine is sourced from PubChem (CID 163421224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).