2-(2-methoxy-5-methylphenyl)sulfanylaniline

C14H15NOS — CID 82118800

IUPAC2-(2-methoxy-5-methylphenyl)sulfanylaniline
SMILESCOc1ccc(C)cc1Sc1ccccc1N
InChIInChI=1S/C14H15NOS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-9H,15H2,1-2H3
InChIKeyGDYLMQFSDNUHBH-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.74
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)sulfanylaniline

2-(2-methoxy-5-methylphenyl)sulfanylaniline (PubChem CID 82118800) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)sulfanylaniline.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)sulfanylaniline
PubChem CID82118800
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(2-methoxy-5-methylphenyl)sulfanylaniline
SMILESCOc1ccc(C)cc1Sc1ccccc1N
InChIInChI=1S/C14H15NOS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-9H,15H2,1-2H3
InChIKeyGDYLMQFSDNUHBH-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 76938911
(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methylaniline
CID 79142232
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 10107352
S-(2-methoxy-5-methylphenyl) methanethioate
CID 117033659
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfanylaniline?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfanylaniline (CID 82118800) is 2-(2-methoxy-5-methylphenyl)sulfanylaniline.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)sulfanylaniline?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)sulfanylaniline is COc1ccc(C)cc1Sc1ccccc1N.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)sulfanylaniline?
The InChIKey is GDYLMQFSDNUHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-9H,15H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)sulfanylaniline?
2-(2-methoxy-5-methylphenyl)sulfanylaniline has a molecular weight of 245.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)sulfanylaniline is sourced from PubChem (CID 82118800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).