2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid

C11H12N2O2S — CID 71391832

IUPAC2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid
SMILESC=Cc1ccc(NN=CSCC(=O)O)cc1
InChIInChI=1S/C11H12N2O2S/c1-2-9-3-5-10(6-4-9)13-12-8-16-7-11(14)15/h2-6,8,13H,1,7H2,(H,14,15)
InChIKeySRVUBGXDWDFAGS-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.50
Rot. Bonds6

About 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid

2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid (PubChem CID 71391832) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid
PubChem CID71391832
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid
SMILESC=Cc1ccc(NN=CSCC(=O)O)cc1
InChIInChI=1S/C11H12N2O2S/c1-2-9-3-5-10(6-4-9)13-12-8-16-7-11(14)15/h2-6,8,13H,1,7H2,(H,14,15)
InChIKeySRVUBGXDWDFAGS-UHFFFAOYSA-N
XLogP2.50
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Aminophenyl)methylsulfanyl]acetic acid
CID 44384889
(2E)-2-[(4-methylphenyl)hydrazinylidene]acetic acid
CID 9555169
3-[(E)-C-acetyl-N-(4-methylanilino)carbonimidoyl]sulfanylpropanoic acid
CID 11265978
2-[(Z)-C-acetyl-N-(4-methylanilino)carbonimidoyl]sulfanylacetic acid
CID 12009024
2-[(4-Methylphenyl)hydrazinylidene]acetic acid
CID 320420
(2Z)-2-[(4-methylphenyl)hydrazinylidene]acetic acid
CID 5973114
3-[(4-Methylanilino)carbamoylsulfanyl]propanoic acid
CID 13597151
2-{[(3-Aminophenyl)methyl]sulfanyl}acetic acid
CID 17955393
Carboxymethyl 4-aminobenzenecarbodithioate
CID 54194572
2-[(2-Aminophenyl)methylsulfanyl]acetic acid
CID 70392559
2-[(4-Propan-2-ylphenyl)hydrazinylidene]acetic acid
CID 77998859
3-[(4-Aminophenyl)methylsulfanyl]propanoic acid
CID 82178312

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid?
The IUPAC name of 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid (CID 71391832) is 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid?
The canonical SMILES for 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid is C=Cc1ccc(NN=CSCC(=O)O)cc1.
What is the InChIKey of 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid?
The InChIKey is SRVUBGXDWDFAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-9-3-5-10(6-4-9)13-12-8-16-7-11(14)15/h2-6,8,13H,1,7H2,(H,14,15).
What are the key properties of 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid?
2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid has a molecular weight of 236.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethenylphenyl)hydrazinylidene]methylsulfanyl]acetic acid is sourced from PubChem (CID 71391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).