(4-methoxyanilino) thiohypofluorite

C7H8FNOS — CID 175225532

IUPAC(4-methoxyanilino) thiohypofluorite
SMILESCOc1ccc(NSF)cc1
InChIInChI=1S/C7H8FNOS/c1-10-7-4-2-6(3-5-7)9-11-8/h2-5,9H,1H3
InChIKeyGOXKCKGHGILBIN-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.64
Rot. Bonds3

About (4-methoxyanilino) thiohypofluorite

(4-methoxyanilino) thiohypofluorite (PubChem CID 175225532) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is (4-methoxyanilino) thiohypofluorite.

Molecular Properties

Compound Name(4-methoxyanilino) thiohypofluorite
PubChem CID175225532
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name(4-methoxyanilino) thiohypofluorite
SMILESCOc1ccc(NSF)cc1
InChIInChI=1S/C7H8FNOS/c1-10-7-4-2-6(3-5-7)9-11-8/h2-5,9H,1H3
InChIKeyGOXKCKGHGILBIN-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methylsulfanylaniline
CID 123820193
CID 12607295
CID 12607295
1-methoxy-4-[2-(4-methoxyanilino)hydrazinyl]benzene
CID 163682432
N,4-dimethoxyaniline
CID 23340556
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(difluoromethyl)-4-methoxyaniline
CID 118609343
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
1-chloro-2-(4-methoxyphenyl)hydrazine;hydrobromide
CID 175005473
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
3,4,5-trifluoro-N-(4-methoxyphenyl)aniline
CID 52951070

Frequently Asked Questions

What is the IUPAC name of (4-methoxyanilino) thiohypofluorite?
The IUPAC name of (4-methoxyanilino) thiohypofluorite (CID 175225532) is (4-methoxyanilino) thiohypofluorite.
What is the SMILES notation for (4-methoxyanilino) thiohypofluorite?
The canonical SMILES for (4-methoxyanilino) thiohypofluorite is COc1ccc(NSF)cc1.
What is the InChIKey of (4-methoxyanilino) thiohypofluorite?
The InChIKey is GOXKCKGHGILBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-10-7-4-2-6(3-5-7)9-11-8/h2-5,9H,1H3.
What are the key properties of (4-methoxyanilino) thiohypofluorite?
(4-methoxyanilino) thiohypofluorite has a molecular weight of 173.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyanilino) thiohypofluorite is sourced from PubChem (CID 175225532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).