5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide

C14H16N2O2S — CID 63580707

IUPAC5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
SMILESCc1ccccc1CSCc1ccc(C(=O)NN)o1
InChIInChI=1S/C14H16N2O2S/c1-10-4-2-3-5-11(10)8-19-9-12-6-7-13(18-12)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyWSOZPFVJDNFQGC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.62
Rot. Bonds5

About 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide

5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63580707) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
PubChem CID63580707
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
SMILESCc1ccccc1CSCc1ccc(C(=O)NN)o1
InChIInChI=1S/C14H16N2O2S/c1-10-4-2-3-5-11(10)8-19-9-12-6-7-13(18-12)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyWSOZPFVJDNFQGC-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-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207390
5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580705
5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582387
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5054167
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
1-(1-benzofuran-2-yl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 60623861
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide (CID 63580707) is 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide is Cc1ccccc1CSCc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is WSOZPFVJDNFQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-4-2-3-5-11(10)8-19-9-12-6-7-13(18-12)14(17)16-15/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide?
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-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 5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63580707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).