[amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride

C8H10ClFN2S — CID 2732440

IUPAC[amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride
SMILESNC(=[NH2+])SCc1ccc(F)cc1.[Cl-]
InChIInChI=1S/C8H9FN2S.ClH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKeySTUFCQTWEPJJSZ-UHFFFAOYSA-N
MW220.70 g/mol
LogP-2.86
Rot. Bonds2

About [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride

[amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride (PubChem CID 2732440) has the molecular formula C8H10ClFN2S and a molecular weight of 220.70 g/mol. Its IUPAC name is [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride
PubChem CID2732440
Molecular FormulaC8H10ClFN2S
Molecular Weight220.70 g/mol
Exact Mass220.02
IUPAC Name[amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride
SMILESNC(=[NH2+])SCc1ccc(F)cc1.[Cl-]
InChIInChI=1S/C8H9FN2S.ClH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKeySTUFCQTWEPJJSZ-UHFFFAOYSA-N
XLogP-2.86
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 5-2.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride?
The IUPAC name of [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride (CID 2732440) is [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride.
What is the SMILES notation for [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride?
The canonical SMILES for [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride is NC(=[NH2+])SCc1ccc(F)cc1.[Cl-].
What is the InChIKey of [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride?
The InChIKey is STUFCQTWEPJJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2S.ClH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H.
What are the key properties of [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride?
[amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride has a molecular weight of 220.70 g/mol, XLogP of -2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(4-fluorophenyl)methylsulfanyl]methylidene]azanium chloride is sourced from PubChem (CID 2732440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).