S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine

C7H10FN3S — CID 142359365

IUPACS-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
SMILESCC(CSN)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3S/c1-5(4-12-9)7-10-2-6(8)3-11-7/h2-3,5H,4,9H2,1H3
InChIKeyWBXDAJOQPXQQFV-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.33
Rot. Bonds3

About S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine

S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine (PubChem CID 142359365) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
PubChem CID142359365
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC NameS-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
SMILESCC(CSN)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3S/c1-5(4-12-9)7-10-2-6(8)3-11-7/h2-3,5H,4,9H2,1H3
InChIKeyWBXDAJOQPXQQFV-UHFFFAOYSA-N
XLogP1.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
The IUPAC name of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine (CID 142359365) is S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine.
What is the SMILES notation for S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
The canonical SMILES for S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine is CC(CSN)c1ncc(F)cn1.
What is the InChIKey of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
The InChIKey is WBXDAJOQPXQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-5(4-12-9)7-10-2-6(8)3-11-7/h2-3,5H,4,9H2,1H3.
What are the key properties of S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine?
S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine is sourced from PubChem (CID 142359365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).