2-(2-methylsulfanylethyl)guanidine

C4H11N3S — CID 10129978

IUPAC2-(2-methylsulfanylethyl)guanidine
SMILESCSCCN=C(N)N
InChIInChI=1S/C4H11N3S/c1-8-3-2-7-4(5)6/h2-3H2,1H3,(H4,5,6,7)
InChIKeyNYROFODIKGNGFM-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.38
Rot. Bonds3

About 2-(2-methylsulfanylethyl)guanidine

2-(2-methylsulfanylethyl)guanidine (PubChem CID 10129978) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)guanidine
PubChem CID10129978
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name2-(2-methylsulfanylethyl)guanidine
SMILESCSCCN=C(N)N
InChIInChI=1S/C4H11N3S/c1-8-3-2-7-4(5)6/h2-3H2,1H3,(H4,5,6,7)
InChIKeyNYROFODIKGNGFM-UHFFFAOYSA-N
XLogP-0.38
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.38
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 2-(2-methylsulfanylethyl)guanidine?
The IUPAC name of 2-(2-methylsulfanylethyl)guanidine (CID 10129978) is 2-(2-methylsulfanylethyl)guanidine.
What is the SMILES notation for 2-(2-methylsulfanylethyl)guanidine?
The canonical SMILES for 2-(2-methylsulfanylethyl)guanidine is CSCCN=C(N)N.
What is the InChIKey of 2-(2-methylsulfanylethyl)guanidine?
The InChIKey is NYROFODIKGNGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-8-3-2-7-4(5)6/h2-3H2,1H3,(H4,5,6,7).
What are the key properties of 2-(2-methylsulfanylethyl)guanidine?
2-(2-methylsulfanylethyl)guanidine has a molecular weight of 133.22 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)guanidine is sourced from PubChem (CID 10129978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).