2-(2-methylphenyl)sulfanylacetohydrazide

C9H12N2OS — CID 21235695

IUPAC2-(2-methylphenyl)sulfanylacetohydrazide
SMILESCc1ccccc1SCC(=O)NN
InChIInChI=1S/C9H12N2OS/c1-7-4-2-3-5-8(7)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyDIZPFAMMNIDWOP-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.08
Rot. Bonds3

About 2-(2-methylphenyl)sulfanylacetohydrazide

2-(2-methylphenyl)sulfanylacetohydrazide (PubChem CID 21235695) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanylacetohydrazide
PubChem CID21235695
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2-(2-methylphenyl)sulfanylacetohydrazide
SMILESCc1ccccc1SCC(=O)NN
InChIInChI=1S/C9H12N2OS/c1-7-4-2-3-5-8(7)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyDIZPFAMMNIDWOP-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.08
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'}

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Related Compounds

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
2-[(2-Fluorophenyl)sulfanyl]acetohydrazide
CID 4388854
3-(Phenylsulfanyl)propanehydrazide
CID 222880
2-[(4-Methylphenyl)sulfanyl]acetohydrazide
CID 2463153
2-(Phenylthio)acetic acid hydrazide
CID 7037418
2-[2-(Trifluoromethyl)phenyl]sulfanylacetamide
CID 173425657
3-[(4-Methylphenyl)thio]propanohydrazide
CID 2512577
2-Benzylsulfonylacetohydrazide
CID 11817035
2-(Benzylthio)acetohydrazide
CID 4466810
2,3-Dihydrobenzo[b]thiophene-2-carbohydrazide
CID 43091275

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanylacetohydrazide?
The IUPAC name of 2-(2-methylphenyl)sulfanylacetohydrazide (CID 21235695) is 2-(2-methylphenyl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanylacetohydrazide?
The canonical SMILES for 2-(2-methylphenyl)sulfanylacetohydrazide is Cc1ccccc1SCC(=O)NN.
What is the InChIKey of 2-(2-methylphenyl)sulfanylacetohydrazide?
The InChIKey is DIZPFAMMNIDWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7-4-2-3-5-8(7)13-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of 2-(2-methylphenyl)sulfanylacetohydrazide?
2-(2-methylphenyl)sulfanylacetohydrazide has a molecular weight of 196.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanylacetohydrazide is sourced from PubChem (CID 21235695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).