thieno[3,2-b]thiophene-5-carbohydrazide

C7H6N2OS2 — CID 2739789

IUPACthieno[3,2-b]thiophene-5-carbohydrazide
SMILESNNC(=O)c1cc2sccc2s1
InChIInChI=1S/C7H6N2OS2/c8-9-7(10)6-3-5-4(12-6)1-2-11-5/h1-3H,8H2,(H,9,10)
InChIKeyGLEYHEKHGPYQOB-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.57
Rot. Bonds1

About thieno[3,2-b]thiophene-5-carbohydrazide

thieno[3,2-b]thiophene-5-carbohydrazide (PubChem CID 2739789) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is thieno[3,2-b]thiophene-5-carbohydrazide.

Molecular Properties

Compound Namethieno[3,2-b]thiophene-5-carbohydrazide
PubChem CID2739789
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Namethieno[3,2-b]thiophene-5-carbohydrazide
SMILESNNC(=O)c1cc2sccc2s1
InChIInChI=1S/C7H6N2OS2/c8-9-7(10)6-3-5-4(12-6)1-2-11-5/h1-3H,8H2,(H,9,10)
InChIKeyGLEYHEKHGPYQOB-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 thieno[3,2-b]thiophene-5-carbohydrazide?
The IUPAC name of thieno[3,2-b]thiophene-5-carbohydrazide (CID 2739789) is thieno[3,2-b]thiophene-5-carbohydrazide.
What is the SMILES notation for thieno[3,2-b]thiophene-5-carbohydrazide?
The canonical SMILES for thieno[3,2-b]thiophene-5-carbohydrazide is NNC(=O)c1cc2sccc2s1.
What is the InChIKey of thieno[3,2-b]thiophene-5-carbohydrazide?
The InChIKey is GLEYHEKHGPYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c8-9-7(10)6-3-5-4(12-6)1-2-11-5/h1-3H,8H2,(H,9,10).
What are the key properties of thieno[3,2-b]thiophene-5-carbohydrazide?
thieno[3,2-b]thiophene-5-carbohydrazide has a molecular weight of 198.27 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]thiophene-5-carbohydrazide is sourced from PubChem (CID 2739789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).