1-fluoroethyl N'-methylcarbamimidothioate

C4H9FN2S — CID 146267644

IUPAC1-fluoroethyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SC(C)F
InChIInChI=1S/C4H9FN2S/c1-3(5)8-4(6)7-2/h3H,1-2H3,(H2,6,7)
InChIKeyZSPIBUDQMWVEFP-UHFFFAOYSA-N
MW136.19 g/mol
LogP0.98
Rot. Bonds1

About 1-fluoroethyl N'-methylcarbamimidothioate

1-fluoroethyl N'-methylcarbamimidothioate (PubChem CID 146267644) has the molecular formula C4H9FN2S and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-fluoroethyl N'-methylcarbamimidothioate.

Molecular Properties

Compound Name1-fluoroethyl N'-methylcarbamimidothioate
PubChem CID146267644
Molecular FormulaC4H9FN2S
Molecular Weight136.19 g/mol
Exact Mass136.05
IUPAC Name1-fluoroethyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SC(C)F
InChIInChI=1S/C4H9FN2S/c1-3(5)8-4(6)7-2/h3H,1-2H3,(H2,6,7)
InChIKeyZSPIBUDQMWVEFP-UHFFFAOYSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl N'-methylcarbamimidothioate
CID 71755519
2,2,2-trifluoroethyl N'-ethylcarbamimidothioate
CID 134202268
1,2,2-trifluoroethyl N'-methylcarbamimidothioate
CID 174268970
ethyl N'-ethylcarbamimidothioate;hydrobromide
CID 24195856
2,2,3,3-tetrafluoropropyl N'-methylcarbamimidothioate
CID 71758763
2-fluoroethyl N'-propylcarbamimidothioate
CID 127018377
2-fluoroethyl N'-ethylcarbamimidothioate
CID 130725494
3-fluoropropyl N'-methylcarbamimidothioate
CID 144464924
2-(N'-methylcarbamimidoyl)sulfanylethyl N'-methylcarbamimidothioate;hydrobromide
CID 54611763
ethyl N'-ethylcarbamimidothioate
CID 426859
ethyl N'-methylcarbamimidothioate
CID 11019863
ethyl N'-methylcarbamimidothioate;hydrobromide
CID 21561520

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl N'-methylcarbamimidothioate?
The IUPAC name of 1-fluoroethyl N'-methylcarbamimidothioate (CID 146267644) is 1-fluoroethyl N'-methylcarbamimidothioate.
What is the SMILES notation for 1-fluoroethyl N'-methylcarbamimidothioate?
The canonical SMILES for 1-fluoroethyl N'-methylcarbamimidothioate is C/N=C(\N)SC(C)F.
What is the InChIKey of 1-fluoroethyl N'-methylcarbamimidothioate?
The InChIKey is ZSPIBUDQMWVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2S/c1-3(5)8-4(6)7-2/h3H,1-2H3,(H2,6,7).
What are the key properties of 1-fluoroethyl N'-methylcarbamimidothioate?
1-fluoroethyl N'-methylcarbamimidothioate has a molecular weight of 136.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl N'-methylcarbamimidothioate is sourced from PubChem (CID 146267644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).