3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide

C12H12N2O3S — CID 63580715

IUPAC3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1ccc(O)cc1
InChIInChI=1S/C12H12N2O3S/c13-14-12(16)11-8(5-6-17-11)7-18-10-3-1-9(15)2-4-10/h1-6,15H,7,13H2,(H,14,16)
InChIKeyFYNJNHPBTOORDE-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.88
Rot. Bonds4

About 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide

3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63580715) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID63580715
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1occc1CSc1ccc(O)cc1
InChIInChI=1S/C12H12N2O3S/c13-14-12(16)11-8(5-6-17-11)7-18-10-3-1-9(15)2-4-10/h1-6,15H,7,13H2,(H,14,16)
InChIKeyFYNJNHPBTOORDE-UHFFFAOYSA-N
XLogP1.88
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581352
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581391
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55215048
3-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581739
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 79142522
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212134
N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78829710
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43132063
methyl 3-[[2-(hydrazinecarbonyl)furan-3-yl]methylsulfanyl]propanoate
CID 55213505

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide (CID 63580715) is 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide is NNC(=O)c1occc1CSc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is FYNJNHPBTOORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-14-12(16)11-8(5-6-17-11)7-18-10-3-1-9(15)2-4-10/h1-6,15H,7,13H2,(H,14,16).
What are the key properties of 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide?
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63580715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).