6-amino-5-methylpyridine-3-thiol

C6H8N2S — CID 90292005

IUPAC6-amino-5-methylpyridine-3-thiol
SMILESCc1cc(S)cnc1N
InChIInChI=1S/C6H8N2S/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3,(H2,7,8)
InChIKeyKVDUBVRKJKOLNY-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.26
Rot. Bonds

About 6-amino-5-methylpyridine-3-thiol

6-amino-5-methylpyridine-3-thiol (PubChem CID 90292005) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 6-amino-5-methylpyridine-3-thiol.

Molecular Properties

Compound Name6-amino-5-methylpyridine-3-thiol
PubChem CID90292005
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name6-amino-5-methylpyridine-3-thiol
SMILESCc1cc(S)cnc1N
InChIInChI=1S/C6H8N2S/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3,(H2,7,8)
InChIKeyKVDUBVRKJKOLNY-UHFFFAOYSA-N
XLogP1.26
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
4-Ethylpyridin-2-amine
CID 118425
4,5-Dimethylpyridin-2-amine
CID 12404013
(3-Methyl-pyridin-2-yl)-thiourea
CID 1480047
4-(Aminomethyl)pyridin-2-amine
CID 34176886
2-Amino-3-(trifluoromethyl)pyridine
CID 2760920
3,5-Dimethylpyridin-2-amine
CID 3016310
2-Amino-3-cyanopyridine
CID 818259
3,4-Dimethylpyridin-2-amine
CID 11007884

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methylpyridine-3-thiol?
The IUPAC name of 6-amino-5-methylpyridine-3-thiol (CID 90292005) is 6-amino-5-methylpyridine-3-thiol.
What is the SMILES notation for 6-amino-5-methylpyridine-3-thiol?
The canonical SMILES for 6-amino-5-methylpyridine-3-thiol is Cc1cc(S)cnc1N.
What is the InChIKey of 6-amino-5-methylpyridine-3-thiol?
The InChIKey is KVDUBVRKJKOLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3,(H2,7,8).
What are the key properties of 6-amino-5-methylpyridine-3-thiol?
6-amino-5-methylpyridine-3-thiol has a molecular weight of 140.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methylpyridine-3-thiol is sourced from PubChem (CID 90292005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).