3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide

C10H10N2OS3 — CID 63639235

IUPAC3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSc1cccs1
InChIInChI=1S/C10H10N2OS3/c11-12-10(13)9-7(3-5-15-9)6-16-8-2-1-4-14-8/h1-5H,6,11H2,(H,12,13)
InChIKeyWJFPRRXUTBUXDT-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.71
Rot. Bonds4

About 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide

3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 63639235) has the molecular formula C10H10N2OS3 and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID63639235
Molecular FormulaC10H10N2OS3
Molecular Weight270.40 g/mol
Exact Mass270.00
IUPAC Name3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSc1cccs1
InChIInChI=1S/C10H10N2OS3/c11-12-10(13)9-7(3-5-15-9)6-16-8-2-1-4-14-8/h1-5H,6,11H2,(H,12,13)
InChIKeyWJFPRRXUTBUXDT-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide (CID 63639235) is 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide is NNC(=O)c1sccc1CSc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is WJFPRRXUTBUXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS3/c11-12-10(13)9-7(3-5-15-9)6-16-8-2-1-4-14-8/h1-5H,6,11H2,(H,12,13).
What are the key properties of 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 270.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63639235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).