(2-methanimidoyl-6-propylanilino) thiohypofluorite

C10H13FN2S — CID 166949593

IUPAC(2-methanimidoyl-6-propylanilino) thiohypofluorite
SMILES[H]/N=C/c1cccc(CCC)c1NSF
InChIInChI=1S/C10H13FN2S/c1-2-4-8-5-3-6-9(7-12)10(8)13-14-11/h3,5-7,12-13H,2,4H2,1H3/b12-7+
InChIKeyFWCTXGNCRMWBDG-KPKJPENVSA-N
MW212.29 g/mol
LogP3.58
Rot. Bonds5

About (2-methanimidoyl-6-propylanilino) thiohypofluorite

(2-methanimidoyl-6-propylanilino) thiohypofluorite (PubChem CID 166949593) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is (2-methanimidoyl-6-propylanilino) thiohypofluorite.

Molecular Properties

Compound Name(2-methanimidoyl-6-propylanilino) thiohypofluorite
PubChem CID166949593
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name(2-methanimidoyl-6-propylanilino) thiohypofluorite
SMILES[H]/N=C/c1cccc(CCC)c1NSF
InChIInChI=1S/C10H13FN2S/c1-2-4-8-5-3-6-9(7-12)10(8)13-14-11/h3,5-7,12-13H,2,4H2,1H3/b12-7+
InChIKeyFWCTXGNCRMWBDG-KPKJPENVSA-N
XLogP3.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methanimidoyl-6-propylanilino) thiohypofluorite?
The IUPAC name of (2-methanimidoyl-6-propylanilino) thiohypofluorite (CID 166949593) is (2-methanimidoyl-6-propylanilino) thiohypofluorite.
What is the SMILES notation for (2-methanimidoyl-6-propylanilino) thiohypofluorite?
The canonical SMILES for (2-methanimidoyl-6-propylanilino) thiohypofluorite is [H]/N=C/c1cccc(CCC)c1NSF.
What is the InChIKey of (2-methanimidoyl-6-propylanilino) thiohypofluorite?
The InChIKey is FWCTXGNCRMWBDG-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-2-4-8-5-3-6-9(7-12)10(8)13-14-11/h3,5-7,12-13H,2,4H2,1H3/b12-7+.
What are the key properties of (2-methanimidoyl-6-propylanilino) thiohypofluorite?
(2-methanimidoyl-6-propylanilino) thiohypofluorite has a molecular weight of 212.29 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methanimidoyl-6-propylanilino) thiohypofluorite is sourced from PubChem (CID 166949593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).