2-(2-amino-4-methylphenyl)sulfanylacetohydrazide

C9H13N3OS — CID 63582750

IUPAC2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
SMILESCc1ccc(SCC(=O)NN)c(N)c1
InChIInChI=1S/C9H13N3OS/c1-6-2-3-8(7(10)4-6)14-5-9(13)12-11/h2-4H,5,10-11H2,1H3,(H,12,13)
InChIKeyIUJFLJHLUAZYDS-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.66
Rot. Bonds3

About 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide

2-(2-amino-4-methylphenyl)sulfanylacetohydrazide (PubChem CID 63582750) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
PubChem CID63582750
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
SMILESCc1ccc(SCC(=O)NN)c(N)c1
InChIInChI=1S/C9H13N3OS/c1-6-2-3-8(7(10)4-6)14-5-9(13)12-11/h2-4H,5,10-11H2,1H3,(H,12,13)
InChIKeyIUJFLJHLUAZYDS-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

2-(2-amino-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43302612
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43302362
2-(2-amino-4-methylphenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43302530
2-(2-amino-4-methylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 55181885
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 43302482
2-(2-amino-4-methylphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 43302605

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide?
The IUPAC name of 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide (CID 63582750) is 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide is Cc1ccc(SCC(=O)NN)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide?
The InChIKey is IUJFLJHLUAZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-2-3-8(7(10)4-6)14-5-9(13)12-11/h2-4H,5,10-11H2,1H3,(H,12,13).
What are the key properties of 2-(2-amino-4-methylphenyl)sulfanylacetohydrazide?
2-(2-amino-4-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-(2-amino-4-methylphenyl)sulfanylacetohydrazide is sourced from PubChem (CID 63582750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).