3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide

C8H12N2O2S — CID 63581814

IUPAC3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
SMILESCSCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C8H12N2O2S/c1-5-3-6(4-13-2)12-7(5)8(11)10-9/h3H,4,9H2,1-2H3,(H,10,11)
InChIKeyFDVUYTNWOBXREF-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.05
Rot. Bonds3

About 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide

3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide (PubChem CID 63581814) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
PubChem CID63581814
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
SMILESCSCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C8H12N2O2S/c1-5-3-6(4-13-2)12-7(5)8(11)10-9/h3H,4,9H2,1-2H3,(H,10,11)
InChIKeyFDVUYTNWOBXREF-UHFFFAOYSA-N
XLogP1.05
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.05
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-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide (CID 63581814) is 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide is CSCc1cc(C)c(C(=O)NN)o1.
What is the InChIKey of 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide?
The InChIKey is FDVUYTNWOBXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-3-6(4-13-2)12-7(5)8(11)10-9/h3H,4,9H2,1-2H3,(H,10,11).
What are the key properties of 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide?
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide has a molecular weight of 200.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63581814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).