2-(3-amino-2-methylphenyl)sulfanylacetohydrazide

C9H13N3OS — CID 79140854

IUPAC2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
SMILESCc1c(N)cccc1SCC(=O)NN
InChIInChI=1S/C9H13N3OS/c1-6-7(10)3-2-4-8(6)14-5-9(13)12-11/h2-4H,5,10-11H2,1H3,(H,12,13)
InChIKeyJSZCITKWVFXRAF-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.66
Rot. Bonds3

About 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide

2-(3-amino-2-methylphenyl)sulfanylacetohydrazide (PubChem CID 79140854) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
PubChem CID79140854
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
SMILESCc1c(N)cccc1SCC(=O)NN
InChIInChI=1S/C9H13N3OS/c1-6-7(10)3-2-4-8(6)14-5-9(13)12-11/h2-4H,5,10-11H2,1H3,(H,12,13)
InChIKeyJSZCITKWVFXRAF-UHFFFAOYSA-N
XLogP0.66
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 79141495
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 79128368
2-(3-amino-2-methylphenyl)sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 79128909
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79128676
2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79128373
2-(3-amino-2-methylphenyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 79144580
2-amino-3-(3-amino-2-methylphenyl)sulfanylpropanoic acid
CID 79143906
2-(3-amino-2-methylphenyl)sulfanyl-1-piperazin-1-ylethanone
CID 79143784
2-(3-amino-2-methylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79143453
2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 83048618

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide (CID 79140854) is 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide is Cc1c(N)cccc1SCC(=O)NN.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide?
The InChIKey is JSZCITKWVFXRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-7(10)3-2-4-8(6)14-5-9(13)12-11/h2-4H,5,10-11H2,1H3,(H,12,13).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide?
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide has a molecular weight of 211.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfanylacetohydrazide is sourced from PubChem (CID 79140854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).