methyl 1,2-dihydropyridine-2-carboximidothioate

C7H10N2S — CID 19041066

IUPACmethyl 1,2-dihydropyridine-2-carboximidothioate
SMILES[H]/N=C(\SC)C1C=CC=CN1
InChIInChI=1S/C7H10N2S/c1-10-7(8)6-4-2-3-5-9-6/h2-6,8-9H,1H3/b8-7-
InChIKeyCTMBQVZMQLYAIY-FPLPWBNLSA-N
MW154.24 g/mol
LogP1.37
Rot. Bonds1

About methyl 1,2-dihydropyridine-2-carboximidothioate

methyl 1,2-dihydropyridine-2-carboximidothioate (PubChem CID 19041066) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is methyl 1,2-dihydropyridine-2-carboximidothioate.

Molecular Properties

Compound Namemethyl 1,2-dihydropyridine-2-carboximidothioate
PubChem CID19041066
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Namemethyl 1,2-dihydropyridine-2-carboximidothioate
SMILES[H]/N=C(\SC)C1C=CC=CN1
InChIInChI=1S/C7H10N2S/c1-10-7(8)6-4-2-3-5-9-6/h2-6,8-9H,1H3/b8-7-
InChIKeyCTMBQVZMQLYAIY-FPLPWBNLSA-N
XLogP1.37
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dihydropyridine-2-carboximidothioate?
The IUPAC name of methyl 1,2-dihydropyridine-2-carboximidothioate (CID 19041066) is methyl 1,2-dihydropyridine-2-carboximidothioate.
What is the SMILES notation for methyl 1,2-dihydropyridine-2-carboximidothioate?
The canonical SMILES for methyl 1,2-dihydropyridine-2-carboximidothioate is [H]/N=C(\SC)C1C=CC=CN1.
What is the InChIKey of methyl 1,2-dihydropyridine-2-carboximidothioate?
The InChIKey is CTMBQVZMQLYAIY-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H10N2S/c1-10-7(8)6-4-2-3-5-9-6/h2-6,8-9H,1H3/b8-7-.
What are the key properties of methyl 1,2-dihydropyridine-2-carboximidothioate?
methyl 1,2-dihydropyridine-2-carboximidothioate has a molecular weight of 154.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dihydropyridine-2-carboximidothioate is sourced from PubChem (CID 19041066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).