3-methyl-2-pyridin-2-ylsulfanylaniline

C12H12N2S — CID 115551231

IUPAC3-methyl-2-pyridin-2-ylsulfanylaniline
SMILESCc1cccc(N)c1Sc1ccccn1
InChIInChI=1S/C12H12N2S/c1-9-5-4-6-10(13)12(9)15-11-7-2-3-8-14-11/h2-8H,13H2,1H3
InChIKeyANXHIMQZDRSBBT-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.12
Rot. Bonds2

About 3-methyl-2-pyridin-2-ylsulfanylaniline

3-methyl-2-pyridin-2-ylsulfanylaniline (PubChem CID 115551231) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-methyl-2-pyridin-2-ylsulfanylaniline.

Molecular Properties

Compound Name3-methyl-2-pyridin-2-ylsulfanylaniline
PubChem CID115551231
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name3-methyl-2-pyridin-2-ylsulfanylaniline
SMILESCc1cccc(N)c1Sc1ccccn1
InChIInChI=1S/C12H12N2S/c1-9-5-4-6-10(13)12(9)15-11-7-2-3-8-14-11/h2-8H,13H2,1H3
InChIKeyANXHIMQZDRSBBT-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.12
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

3-methyl-2-pyridin-2-ylsulfanylbenzonitrile
CID 107110785
2-[(5-bromo-2-pyridinyl)sulfanyl]-3-methylaniline
CID 115551300
5-bromo-4-pyridin-2-ylsulfanylpyridin-3-amine
CID 103519134
5-bromo-4-methyl-6-pyridin-2-ylsulfanylpyridin-3-amine
CID 104507614
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine
CID 60930294
6-chloro-2-pyridin-2-ylsulfanylpyridin-3-amine
CID 115474582
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 152655143
2-fluoro-6-pyridin-2-ylsulfanylpyridine
CID 61228221
2-methyl-6-(pyridin-2-yldisulfanyl)benzamide
CID 154629641
1-(2-methyl-4-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239873

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-2-ylsulfanylaniline?
The IUPAC name of 3-methyl-2-pyridin-2-ylsulfanylaniline (CID 115551231) is 3-methyl-2-pyridin-2-ylsulfanylaniline.
What is the SMILES notation for 3-methyl-2-pyridin-2-ylsulfanylaniline?
The canonical SMILES for 3-methyl-2-pyridin-2-ylsulfanylaniline is Cc1cccc(N)c1Sc1ccccn1.
What is the InChIKey of 3-methyl-2-pyridin-2-ylsulfanylaniline?
The InChIKey is ANXHIMQZDRSBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-5-4-6-10(13)12(9)15-11-7-2-3-8-14-11/h2-8H,13H2,1H3.
What are the key properties of 3-methyl-2-pyridin-2-ylsulfanylaniline?
3-methyl-2-pyridin-2-ylsulfanylaniline has a molecular weight of 216.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-2-ylsulfanylaniline is sourced from PubChem (CID 115551231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).