2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite

C4H10FN3S — CID 144552116

IUPAC2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite
SMILESC/N=C(\N)NCCSF
InChIInChI=1S/C4H10FN3S/c1-7-4(6)8-2-3-9-5/h2-3H2,1H3,(H3,6,7,8)
InChIKeyGLOHLYDUDBQCKQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.14
Rot. Bonds3

About 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite

2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite (PubChem CID 144552116) has the molecular formula C4H10FN3S and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite.

Molecular Properties

Compound Name2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite
PubChem CID144552116
Molecular FormulaC4H10FN3S
Molecular Weight151.21 g/mol
Exact Mass151.06
IUPAC Name2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite
SMILESC/N=C(\N)NCCSF
InChIInChI=1S/C4H10FN3S/c1-7-4(6)8-2-3-9-5/h2-3H2,1H3,(H3,6,7,8)
InChIKeyGLOHLYDUDBQCKQ-UHFFFAOYSA-N
XLogP0.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.14
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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Related Compounds

2-(2-Aminoethyl)-1-(2-sulfanylethyl)guanidine
CID 71568841
N-cyano-N'-(2-mercaptoethyl)-N''-methylguanidine
CID 5743541
2-(2-Fluoroethyl)-1-(1-sulfanylethyl)guanidine
CID 123278833
2-[(1-Methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
CID 138502696
2-(2-Fluoroethyl)-1-(1-methylsulfanylethyl)guanidine
CID 163743197
N'-ethylguanidinoethanethiol
CID 129787860
2-methyl-1-[2-[2-[(N'-methylcarbamimidoyl)amino]ethyldisulfanyl]ethyl]guanidine
CID 204343
2-[2-[2-[[Amino(ethylamino)methylidene]amino]ethyldisulfanyl]ethyl]-1-ethylguanidine
CID 216945
2-Mercaptoethyl-N',N''-diethylguanidine hydrobromide
CID 3028478
2-Methyl-1-(2-sulfanylethyl)guanidine
CID 10034679
1,2-Dimethyl-3-(2-sulfanylethyl)guanidine
CID 14737429
2-Methyl-1-(3-sulfanylpropyl)guanidine
CID 15471323

Frequently Asked Questions

What is the IUPAC name of 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite?
The IUPAC name of 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite (CID 144552116) is 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite.
What is the SMILES notation for 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite?
The canonical SMILES for 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite is C/N=C(\N)NCCSF.
What is the InChIKey of 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite?
The InChIKey is GLOHLYDUDBQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FN3S/c1-7-4(6)8-2-3-9-5/h2-3H2,1H3,(H3,6,7,8).
What are the key properties of 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite?
2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite has a molecular weight of 151.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N'-methylcarbamimidoyl)amino]ethyl thiohypofluorite is sourced from PubChem (CID 144552116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).