2-amino-5-methylbenzenecarbothiohydrazide

C8H11N3S — CID 55281851

IUPAC2-amino-5-methylbenzenecarbothiohydrazide
SMILESCc1ccc(N)c(C(=S)NN)c1
InChIInChI=1S/C8H11N3S/c1-5-2-3-7(9)6(4-5)8(12)11-10/h2-4H,9-10H2,1H3,(H,11,12)
InChIKeyJNYQFLDUIXQHQC-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.72
Rot. Bonds1

About 2-amino-5-methylbenzenecarbothiohydrazide

2-amino-5-methylbenzenecarbothiohydrazide (PubChem CID 55281851) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-amino-5-methylbenzenecarbothiohydrazide.

Molecular Properties

Compound Name2-amino-5-methylbenzenecarbothiohydrazide
PubChem CID55281851
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-amino-5-methylbenzenecarbothiohydrazide
SMILESCc1ccc(N)c(C(=S)NN)c1
InChIInChI=1S/C8H11N3S/c1-5-2-3-7(9)6(4-5)8(12)11-10/h2-4H,9-10H2,1H3,(H,11,12)
InChIKeyJNYQFLDUIXQHQC-UHFFFAOYSA-N
XLogP0.72
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylaniline;methanol
CID 70633605
2-amino-N-methoxy-5-methylbenzamide
CID 64974828
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
3,5-dimethylbenzenecarbothiohydrazide
CID 131049133
2-hydrazinyl-5-methylaniline
CID 89276855
1-(2-amino-5-methylphenyl)prop-2-yn-1-one
CID 116581366
iodo 2-amino-5-methylbenzoate
CID 174945201
2,4-dimethylaniline;sulfuric acid;hydrate
CID 131846787
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666
2-amino-5-methylbenzenecarboximidoyl chloride;ethane
CID 176988809
[1-(dimethylamino)-1-oxopropan-2-yl] 2-amino-5-methylbenzoate
CID 60768575
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylbenzenecarbothiohydrazide?
The IUPAC name of 2-amino-5-methylbenzenecarbothiohydrazide (CID 55281851) is 2-amino-5-methylbenzenecarbothiohydrazide.
What is the SMILES notation for 2-amino-5-methylbenzenecarbothiohydrazide?
The canonical SMILES for 2-amino-5-methylbenzenecarbothiohydrazide is Cc1ccc(N)c(C(=S)NN)c1.
What is the InChIKey of 2-amino-5-methylbenzenecarbothiohydrazide?
The InChIKey is JNYQFLDUIXQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-5-2-3-7(9)6(4-5)8(12)11-10/h2-4H,9-10H2,1H3,(H,11,12).
What are the key properties of 2-amino-5-methylbenzenecarbothiohydrazide?
2-amino-5-methylbenzenecarbothiohydrazide has a molecular weight of 181.26 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylbenzenecarbothiohydrazide is sourced from PubChem (CID 55281851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).