S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine

C11H17FN2S2 — CID 145239891

IUPACS-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine
SMILESC1CSCCN1.Cc1cc(SN)ccc1F
InChIInChI=1S/C7H8FNS.C4H9NS/c1-5-4-6(10-9)2-3-7(5)8;1-3-6-4-2-5-1/h2-4H,9H2,1H3;5H,1-4H2
InChIKeyAACYZCOORHOZIP-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.42
Rot. Bonds1

About S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine

S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine (PubChem CID 145239891) has the molecular formula C11H17FN2S2 and a molecular weight of 260.40 g/mol. Its IUPAC name is S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine.

Molecular Properties

Compound NameS-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine
PubChem CID145239891
Molecular FormulaC11H17FN2S2
Molecular Weight260.40 g/mol
Exact Mass260.08
IUPAC NameS-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine
SMILESC1CSCCN1.Cc1cc(SN)ccc1F
InChIInChI=1S/C7H8FNS.C4H9NS/c1-5-4-6(10-9)2-3-7(5)8;1-3-6-4-2-5-1/h2-4H,9H2,1H3;5H,1-4H2
InChIKeyAACYZCOORHOZIP-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
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-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine?
The IUPAC name of S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine (CID 145239891) is S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine.
What is the SMILES notation for S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine?
The canonical SMILES for S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine is C1CSCCN1.Cc1cc(SN)ccc1F.
What is the InChIKey of S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine?
The InChIKey is AACYZCOORHOZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS.C4H9NS/c1-5-4-6(10-9)2-3-7(5)8;1-3-6-4-2-5-1/h2-4H,9H2,1H3;5H,1-4H2.
What are the key properties of S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine?
S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine has a molecular weight of 260.40 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine is sourced from PubChem (CID 145239891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).