4-methylbenzenesulfinic acid;phenylhydrazine

C13H16N2O2S — CID 121004211

IUPAC4-methylbenzenesulfinic acid;phenylhydrazine
SMILESCc1ccc(S(=O)O)cc1.NNc1ccccc1
InChIInChI=1S/C7H8O2S.C6H8N2/c1-6-2-4-7(5-3-6)10(8)9;7-8-6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9);1-5,8H,7H2
InChIKeyYDNJCGFNFQGUMK-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.55
Rot. Bonds2

About 4-methylbenzenesulfinic acid;phenylhydrazine

4-methylbenzenesulfinic acid;phenylhydrazine (PubChem CID 121004211) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methylbenzenesulfinic acid;phenylhydrazine.

Molecular Properties

Compound Name4-methylbenzenesulfinic acid;phenylhydrazine
PubChem CID121004211
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-methylbenzenesulfinic acid;phenylhydrazine
SMILESCc1ccc(S(=O)O)cc1.NNc1ccccc1
InChIInChI=1S/C7H8O2S.C6H8N2/c1-6-2-4-7(5-3-6)10(8)9;7-8-6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9);1-5,8H,7H2
InChIKeyYDNJCGFNFQGUMK-UHFFFAOYSA-N
XLogP2.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
benzenesulfinic acid;copper
CID 131882722
phenylhydrazine;hydrofluoride
CID 161328758
phenylhydrazine;hydrobromide
CID 12998539
lithium;benzenesulfinic acid;hydride
CID 173027233
sodium;benzenesulfinic acid;fluoride
CID 174567476
ethane;phenylhydrazine;vanadium;hydrochloride
CID 161030571
CID 66692277
CID 66692277
ethanol;phenylhydrazine;hydrochloride
CID 157330335
(4-methylsulfinylphenyl)hydrazine
CID 23470341
nitrous amide;phenylhydrazine
CID 174593520
1,1-dimethylhydrazine;phenylhydrazine
CID 161183537

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzenesulfinic acid;phenylhydrazine?
The IUPAC name of 4-methylbenzenesulfinic acid;phenylhydrazine (CID 121004211) is 4-methylbenzenesulfinic acid;phenylhydrazine.
What is the SMILES notation for 4-methylbenzenesulfinic acid;phenylhydrazine?
The canonical SMILES for 4-methylbenzenesulfinic acid;phenylhydrazine is Cc1ccc(S(=O)O)cc1.NNc1ccccc1.
What is the InChIKey of 4-methylbenzenesulfinic acid;phenylhydrazine?
The InChIKey is YDNJCGFNFQGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.C6H8N2/c1-6-2-4-7(5-3-6)10(8)9;7-8-6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9);1-5,8H,7H2.
What are the key properties of 4-methylbenzenesulfinic acid;phenylhydrazine?
4-methylbenzenesulfinic acid;phenylhydrazine has a molecular weight of 264.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzenesulfinic acid;phenylhydrazine is sourced from PubChem (CID 121004211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).