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

C13H14N2O2S — CID 63581820

IUPAC3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cccc(SCc2ccoc2C(=O)NN)c1
InChIInChI=1S/C13H14N2O2S/c1-9-3-2-4-11(7-9)18-8-10-5-6-17-12(10)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyPIUCIMRVBAQUHH-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.48
Rot. Bonds4

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

3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63581820) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID63581820
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESCc1cccc(SCc2ccoc2C(=O)NN)c1
InChIInChI=1S/C13H14N2O2S/c1-9-3-2-4-11(7-9)18-8-10-5-6-17-12(10)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyPIUCIMRVBAQUHH-UHFFFAOYSA-N
XLogP2.48
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.48
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

3-[(3,4-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581352
3-[(2,5-dimethylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581739
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63580715
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581391
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55215048
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212134
3-[(4-amino-3-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 79148353
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78861956
3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 79142522
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide (CID 63581820) is 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide is Cc1cccc(SCc2ccoc2C(=O)NN)c1.
What is the InChIKey of 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is PIUCIMRVBAQUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-3-2-4-11(7-9)18-8-10-5-6-17-12(10)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide?
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 262.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63581820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).