4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide

C11H15N3O2S2 — CID 2820628

IUPAC4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide
SMILESCON=C1CCCc2c(C(=O)NN)sc(SC)c21
InChIInChI=1S/C11H15N3O2S2/c1-16-14-7-5-3-4-6-8(7)11(17-2)18-9(6)10(15)13-12/h3-5,12H2,1-2H3,(H,13,15)
InChIKeyRAIFKWDSTVOSJH-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.76
Rot. Bonds3

About 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide

4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide (PubChem CID 2820628) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide.

Molecular Properties

Compound Name4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide
PubChem CID2820628
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide
SMILESCON=C1CCCc2c(C(=O)NN)sc(SC)c21
InChIInChI=1S/C11H15N3O2S2/c1-16-14-7-5-3-4-6-8(7)11(17-2)18-9(6)10(15)13-12/h3-5,12H2,1-2H3,(H,13,15)
InChIKeyRAIFKWDSTVOSJH-UHFFFAOYSA-N
XLogP1.76
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide?
The IUPAC name of 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide (CID 2820628) is 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide.
What is the SMILES notation for 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide?
The canonical SMILES for 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide is CON=C1CCCc2c(C(=O)NN)sc(SC)c21.
What is the InChIKey of 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide?
The InChIKey is RAIFKWDSTVOSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-16-14-7-5-3-4-6-8(7)11(17-2)18-9(6)10(15)13-12/h3-5,12H2,1-2H3,(H,13,15).
What are the key properties of 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide?
4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide has a molecular weight of 285.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimino-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carbohydrazide is sourced from PubChem (CID 2820628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).