3-(4-methylphenyl)sulfanylpropanehydrazide

C10H14N2OS — CID 2512577

IUPAC3-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(SCCC(=O)NN)cc1
InChIInChI=1S/C10H14N2OS/c1-8-2-4-9(5-3-8)14-7-6-10(13)12-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyBFSJHFNWCPVHBJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.47
Rot. Bonds4

About 3-(4-methylphenyl)sulfanylpropanehydrazide

3-(4-methylphenyl)sulfanylpropanehydrazide (PubChem CID 2512577) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanylpropanehydrazide
PubChem CID2512577
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(SCCC(=O)NN)cc1
InChIInChI=1S/C10H14N2OS/c1-8-2-4-9(5-3-8)14-7-6-10(13)12-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKeyBFSJHFNWCPVHBJ-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 3-(4-methylphenyl)sulfanylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{[(4-methylphenyl)sulfanyl]methyl}-4H-pyrazol-3-ol
CID 944039
3-[[(4-Methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one
CID 4746789
2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(p-tolylthio)-
CID 51918
1-methyl-3-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazol-5-ol
CID 1489523
3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 4790822
N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 4790824
3-(Phenylsulfanyl)propanehydrazide
CID 222880
N'-{2-[(4-methylphenyl)thio]acetyl}cyclohexanecarbohydrazide
CID 974699
2-[(2-Methylphenyl)thio]acetic acid hydrazide
CID 21235695
2-[(4-Methylphenyl)sulfanyl]acetohydrazide
CID 2463153
2-(2-Naphthalenylthio)acetic acid hydrazide
CID 785677

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanylpropanehydrazide?
The IUPAC name of 3-(4-methylphenyl)sulfanylpropanehydrazide (CID 2512577) is 3-(4-methylphenyl)sulfanylpropanehydrazide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanylpropanehydrazide?
The canonical SMILES for 3-(4-methylphenyl)sulfanylpropanehydrazide is Cc1ccc(SCCC(=O)NN)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanylpropanehydrazide?
The InChIKey is BFSJHFNWCPVHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-2-4-9(5-3-8)14-7-6-10(13)12-11/h2-5H,6-7,11H2,1H3,(H,12,13).
What are the key properties of 3-(4-methylphenyl)sulfanylpropanehydrazide?
3-(4-methylphenyl)sulfanylpropanehydrazide has a molecular weight of 210.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 2512577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).