methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate

C9H12N2O2S — CID 130960952

IUPACmethyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate
SMILESCOC(=O)Cc1ccc(S)cc1NN
InChIInChI=1S/C9H12N2O2S/c1-13-9(12)4-6-2-3-7(14)5-8(6)11-10/h2-3,5,11,14H,4,10H2,1H3
InChIKeyCEVSRBYZCUOHGU-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.98
Rot. Bonds3

About methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate

methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate (PubChem CID 130960952) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate
PubChem CID130960952
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Namemethyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate
SMILESCOC(=O)Cc1ccc(S)cc1NN
InChIInChI=1S/C9H12N2O2S/c1-13-9(12)4-6-2-3-7(14)5-8(6)11-10/h2-3,5,11,14H,4,10H2,1H3
InChIKeyCEVSRBYZCUOHGU-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289
methyl 2-(5-hydrazinyl-2-methylphenyl)acetate
CID 130777805
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 4-(chloromethyl)-3-hydrazinylbenzoate
CID 130894965
methyl 4-(bromomethyl)-3-hydrazinylbenzoate
CID 130783050
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
CID 174377629
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-(3-amino-2,5-dibromophenyl)acetate
CID 131482485
methyl 2-(4-bromo-2-iodophenyl)acetate
CID 86241402
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate?
The IUPAC name of methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate (CID 130960952) is methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate?
The canonical SMILES for methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate is COC(=O)Cc1ccc(S)cc1NN.
What is the InChIKey of methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate?
The InChIKey is CEVSRBYZCUOHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-13-9(12)4-6-2-3-7(14)5-8(6)11-10/h2-3,5,11,14H,4,10H2,1H3.
What are the key properties of methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate?
methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate has a molecular weight of 212.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydrazinyl-4-sulfanylphenyl)acetate is sourced from PubChem (CID 130960952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).