(2-amino-4-methoxyphenyl) thiohypochlorite

C7H8ClNOS — CID 87575480

IUPAC(2-amino-4-methoxyphenyl) thiohypochlorite
SMILESCOc1ccc(SCl)c(N)c1
InChIInChI=1S/C7H8ClNOS/c1-10-5-2-3-7(11-8)6(9)4-5/h2-4H,9H2,1H3
InChIKeyWKQRAJIAHAEVRS-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.52
Rot. Bonds2

About (2-amino-4-methoxyphenyl) thiohypochlorite

(2-amino-4-methoxyphenyl) thiohypochlorite (PubChem CID 87575480) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl) thiohypochlorite
PubChem CID87575480
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name(2-amino-4-methoxyphenyl) thiohypochlorite
SMILESCOc1ccc(SCl)c(N)c1
InChIInChI=1S/C7H8ClNOS/c1-10-5-2-3-7(11-8)6(9)4-5/h2-4H,9H2,1H3
InChIKeyWKQRAJIAHAEVRS-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-4-methoxyphenyl) thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-5-methoxyaniline
CID 11139508
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-(1-iodoethyl)-5-methoxyaniline
CID 170370937
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929
2-hydrazinyl-5-methoxyaniline
CID 119013430
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
2-chloro-1-hydroxysulfanyl-4-methoxybenzene
CID 123526479
2-fluoro-4-methoxyaniline
CID 3756383
(5-methoxy-2-propanoylphenyl) thiohypochlorite
CID 155744576
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
2-chloro-4-methoxy-1-(methyldisulfanyl)benzene
CID 58500368
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl) thiohypochlorite?
The IUPAC name of (2-amino-4-methoxyphenyl) thiohypochlorite (CID 87575480) is (2-amino-4-methoxyphenyl) thiohypochlorite.
What is the SMILES notation for (2-amino-4-methoxyphenyl) thiohypochlorite?
The canonical SMILES for (2-amino-4-methoxyphenyl) thiohypochlorite is COc1ccc(SCl)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl) thiohypochlorite?
The InChIKey is WKQRAJIAHAEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-10-5-2-3-7(11-8)6(9)4-5/h2-4H,9H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl) thiohypochlorite?
(2-amino-4-methoxyphenyl) thiohypochlorite has a molecular weight of 189.67 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl) thiohypochlorite is sourced from PubChem (CID 87575480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).