3-methylsulfanylpyridin-2-amine

C6H8N2S — CID 45079767

IUPAC3-methylsulfanylpyridin-2-amine
SMILESCSc1cccnc1N
InChIInChI=1S/C6H8N2S/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
InChIKeyFODHGTMFSOOZEY-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.39
Rot. Bonds1

About 3-methylsulfanylpyridin-2-amine

3-methylsulfanylpyridin-2-amine (PubChem CID 45079767) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 3-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfanylpyridin-2-amine
PubChem CID45079767
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name3-methylsulfanylpyridin-2-amine
SMILESCSc1cccnc1N
InChIInChI=1S/C6H8N2S/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
InChIKeyFODHGTMFSOOZEY-UHFFFAOYSA-N
XLogP1.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpyridin-2-amine?
The IUPAC name of 3-methylsulfanylpyridin-2-amine (CID 45079767) is 3-methylsulfanylpyridin-2-amine.
What is the SMILES notation for 3-methylsulfanylpyridin-2-amine?
The canonical SMILES for 3-methylsulfanylpyridin-2-amine is CSc1cccnc1N.
What is the InChIKey of 3-methylsulfanylpyridin-2-amine?
The InChIKey is FODHGTMFSOOZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8).
What are the key properties of 3-methylsulfanylpyridin-2-amine?
3-methylsulfanylpyridin-2-amine has a molecular weight of 140.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 45079767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).