5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H10Cl2N2O2S — CID 63580476

IUPAC5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c13-9-2-1-3-10(14)11(9)19-6-8-4-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyBSSGSQZGUIXRJG-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.48
Rot. Bonds4

About 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide

5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63580476) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63580476
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c13-9-2-1-3-10(14)11(9)19-6-8-4-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyBSSGSQZGUIXRJG-UHFFFAOYSA-N
XLogP3.48
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.48
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-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 104591174
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581398
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433
5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580516
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833
5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide
CID 103474683
5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
CID 63580672
5-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581701
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 55212906

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 63580476) is 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1coc(CSc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is BSSGSQZGUIXRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-9-2-1-3-10(14)11(9)19-6-8-4-7(5-18-8)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 317.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63580476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).