2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine

C6H14FN3S — CID 163743197

IUPAC2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine
SMILESCSC(C)N/C(N)=N/CCF
InChIInChI=1S/C6H14FN3S/c1-5(11-2)10-6(8)9-4-3-7/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyLJOGZTRWSXOGCI-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.57
Rot. Bonds4

About 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine

2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine (PubChem CID 163743197) has the molecular formula C6H14FN3S and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine
PubChem CID163743197
Molecular FormulaC6H14FN3S
Molecular Weight179.26 g/mol
Exact Mass179.09
IUPAC Name2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine
SMILESCSC(C)N/C(N)=N/CCF
InChIInChI=1S/C6H14FN3S/c1-5(11-2)10-6(8)9-4-3-7/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyLJOGZTRWSXOGCI-UHFFFAOYSA-N
XLogP0.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-1,3-thiazolidin-2-imine
CID 202955
2-aminoethyl N,N'-dimethylcarbamimidothioate
CID 113658
2-(2-Fluoroethyl)-1-(1-sulfanylethyl)guanidine
CID 123278833
2,2,2-trifluoroethyl N-ethyl-N'-methylcarbamimidothioate
CID 134202270
N'-ethylguanidinoethanethiol
CID 129787860
2-aminoethyl N,N'-diethylcarbamimidothioate
CID 74141
N-(2-fluoroethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 133682221
N-(2-fluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 133683072
2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite
CID 144552116
2-Methyl-1-(2-sulfanylethyl)guanidine
CID 10034679
2,6-dimethyl-3,6-dihydro-2H-1,3,5-thiadiazin-4-amine
CID 12600795
ethyl N,N'-diethylcarbamimidothioate
CID 20159894

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine?
The IUPAC name of 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine (CID 163743197) is 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine.
What is the SMILES notation for 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine?
The canonical SMILES for 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine is CSC(C)N/C(N)=N/CCF.
What is the InChIKey of 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine?
The InChIKey is LJOGZTRWSXOGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3S/c1-5(11-2)10-6(8)9-4-3-7/h5H,3-4H2,1-2H3,(H3,8,9,10).
What are the key properties of 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine?
2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine has a molecular weight of 179.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1-(1-methylsulfanylethyl)guanidine is sourced from PubChem (CID 163743197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).