2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide

C14H16N2O2S — CID 63580531

IUPAC2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide
SMILESCc1cccc(CSCc2occc2C(=O)NN)c1
InChIInChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)8-19-9-13-12(5-6-18-13)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyJLGOLBFMBXSCTJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.62
Rot. Bonds5

About 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide

2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63580531) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide
PubChem CID63580531
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide
SMILESCc1cccc(CSCc2occc2C(=O)NN)c1
InChIInChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)8-19-9-13-12(5-6-18-13)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyJLGOLBFMBXSCTJ-UHFFFAOYSA-N
XLogP2.62
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.62
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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Related Compounds

5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580705
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63581065
2-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66228175
2,2-dimethyl-3-[(3-methylphenyl)methylsulfanyl]propanehydrazide
CID 79631000
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3432253
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[(3-methylphenyl)methylsulfanylmethyl]benzoic acid
CID 62769683
2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580649
2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 55214856
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide (CID 63580531) is 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide is Cc1cccc(CSCc2occc2C(=O)NN)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is JLGOLBFMBXSCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)8-19-9-13-12(5-6-18-13)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide?
2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 276.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63580531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).