4-(2-methoxyphenyl)sulfanylaniline

C13H13NOS — CID 61296724

IUPAC4-(2-methoxyphenyl)sulfanylaniline
SMILESCOc1ccccc1Sc1ccc(N)cc1
InChIInChI=1S/C13H13NOS/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,14H2,1H3
InChIKeyHBGTZMKWZRLSCZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.43
Rot. Bonds3

About 4-(2-methoxyphenyl)sulfanylaniline

4-(2-methoxyphenyl)sulfanylaniline (PubChem CID 61296724) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)sulfanylaniline.

Molecular Properties

Compound Name4-(2-methoxyphenyl)sulfanylaniline
PubChem CID61296724
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name4-(2-methoxyphenyl)sulfanylaniline
SMILESCOc1ccccc1Sc1ccc(N)cc1
InChIInChI=1S/C13H13NOS/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,14H2,1H3
InChIKeyHBGTZMKWZRLSCZ-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)sulfanylaniline?
The IUPAC name of 4-(2-methoxyphenyl)sulfanylaniline (CID 61296724) is 4-(2-methoxyphenyl)sulfanylaniline.
What is the SMILES notation for 4-(2-methoxyphenyl)sulfanylaniline?
The canonical SMILES for 4-(2-methoxyphenyl)sulfanylaniline is COc1ccccc1Sc1ccc(N)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)sulfanylaniline?
The InChIKey is HBGTZMKWZRLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,14H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)sulfanylaniline?
4-(2-methoxyphenyl)sulfanylaniline has a molecular weight of 231.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)sulfanylaniline is sourced from PubChem (CID 61296724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).