methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium

C5H10F3NS — CID 155624835

IUPACmethanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium
SMILES[CH2-][NH2+]CCCSC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-9-3-2-4-10-5(6,7)8/h1-4,9H2
InChIKeyOJRNGQYYOSOESV-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.98
Rot. Bonds4

About methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium

methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium (PubChem CID 155624835) has the molecular formula C5H10F3NS and a molecular weight of 173.20 g/mol. Its IUPAC name is methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium.

Molecular Properties

Compound Namemethanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium
PubChem CID155624835
Molecular FormulaC5H10F3NS
Molecular Weight173.20 g/mol
Exact Mass173.05
IUPAC Namemethanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium
SMILES[CH2-][NH2+]CCCSC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-9-3-2-4-10-5(6,7)8/h1-4,9H2
InChIKeyOJRNGQYYOSOESV-UHFFFAOYSA-N
XLogP0.98
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium?
The IUPAC name of methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium (CID 155624835) is methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium.
What is the SMILES notation for methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium?
The canonical SMILES for methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium is [CH2-][NH2+]CCCSC(F)(F)F.
What is the InChIKey of methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium?
The InChIKey is OJRNGQYYOSOESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NS/c1-9-3-2-4-10-5(6,7)8/h1-4,9H2.
What are the key properties of methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium?
methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium has a molecular weight of 173.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium is sourced from PubChem (CID 155624835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).