4-methoxy-N-methylsulfanylaniline

C8H11NOS — CID 123820193

IUPAC4-methoxy-N-methylsulfanylaniline
SMILESCOc1ccc(NSC)cc1
InChIInChI=1S/C8H11NOS/c1-10-8-5-3-7(4-6-8)9-11-2/h3-6,9H,1-2H3
InChIKeyZIUHHRGEQKHXDN-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.39
Rot. Bonds3

About 4-methoxy-N-methylsulfanylaniline

4-methoxy-N-methylsulfanylaniline (PubChem CID 123820193) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-methoxy-N-methylsulfanylaniline.

Molecular Properties

Compound Name4-methoxy-N-methylsulfanylaniline
PubChem CID123820193
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name4-methoxy-N-methylsulfanylaniline
SMILESCOc1ccc(NSC)cc1
InChIInChI=1S/C8H11NOS/c1-10-8-5-3-7(4-6-8)9-11-2/h3-6,9H,1-2H3
InChIKeyZIUHHRGEQKHXDN-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.39
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-methoxyanilino) thiohypofluorite
CID 175225532
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
1-chloro-2-(4-methoxyphenyl)hydrazine;hydrobromide
CID 175005473
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylsulfanylaniline?
The IUPAC name of 4-methoxy-N-methylsulfanylaniline (CID 123820193) is 4-methoxy-N-methylsulfanylaniline.
What is the SMILES notation for 4-methoxy-N-methylsulfanylaniline?
The canonical SMILES for 4-methoxy-N-methylsulfanylaniline is COc1ccc(NSC)cc1.
What is the InChIKey of 4-methoxy-N-methylsulfanylaniline?
The InChIKey is ZIUHHRGEQKHXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-10-8-5-3-7(4-6-8)9-11-2/h3-6,9H,1-2H3.
What are the key properties of 4-methoxy-N-methylsulfanylaniline?
4-methoxy-N-methylsulfanylaniline has a molecular weight of 169.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylsulfanylaniline is sourced from PubChem (CID 123820193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).