6-methylpyridine-3-carbothioamide

C7H8N2S — CID 2746076

IUPAC6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)cn1
InChIInChI=1S/C7H8N2S/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKeyVBHUDUMOCHYQRM-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.02
Rot. Bonds1

About 6-methylpyridine-3-carbothioamide

6-methylpyridine-3-carbothioamide (PubChem CID 2746076) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methylpyridine-3-carbothioamide
PubChem CID2746076
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)cn1
InChIInChI=1S/C7H8N2S/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKeyVBHUDUMOCHYQRM-UHFFFAOYSA-N
XLogP1.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyridine-3-carbothioamide?
The IUPAC name of 6-methylpyridine-3-carbothioamide (CID 2746076) is 6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 6-methylpyridine-3-carbothioamide?
The canonical SMILES for 6-methylpyridine-3-carbothioamide is Cc1ccc(C(N)=S)cn1.
What is the InChIKey of 6-methylpyridine-3-carbothioamide?
The InChIKey is VBHUDUMOCHYQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10).
What are the key properties of 6-methylpyridine-3-carbothioamide?
6-methylpyridine-3-carbothioamide has a molecular weight of 152.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 2746076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).