3-(methylsulfanylmethyl)thiophene-2-carbohydrazide

C7H10N2OS2 — CID 63640253

IUPAC3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCSCc1ccsc1C(=O)NN
InChIInChI=1S/C7H10N2OS2/c1-11-4-5-2-3-12-6(5)7(10)9-8/h2-3H,4,8H2,1H3,(H,9,10)
InChIKeyQWOXMFVZTDBULP-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.21
Rot. Bonds3

About 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide

3-(methylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 63640253) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID63640253
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESCSCc1ccsc1C(=O)NN
InChIInChI=1S/C7H10N2OS2/c1-11-4-5-2-3-12-6(5)7(10)9-8/h2-3H,4,8H2,1H3,(H,9,10)
InChIKeyQWOXMFVZTDBULP-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.21
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 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide (CID 63640253) is 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide is CSCc1ccsc1C(=O)NN.
What is the InChIKey of 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is QWOXMFVZTDBULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-11-4-5-2-3-12-6(5)7(10)9-8/h2-3H,4,8H2,1H3,(H,9,10).
What are the key properties of 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide?
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 202.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63640253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).