thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate

C14H13ClN2O2S — CID 10518922

IUPACthiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate
SMILESCc1ccc(N/N=C(\Cl)C(=O)OCc2cccs2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-10-4-6-11(7-5-10)16-17-13(15)14(18)19-9-12-3-2-8-20-12/h2-8,16H,9H2,1H3/b17-13-
InChIKeyLVDUZJVZOKVGIZ-LGMDPLHJSA-N
MW308.79 g/mol
LogP3.76
Rot. Bonds5

About thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate

thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate (PubChem CID 10518922) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namethiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate
PubChem CID10518922
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Namethiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate
SMILESCc1ccc(N/N=C(\Cl)C(=O)OCc2cccs2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-10-4-6-11(7-5-10)16-17-13(15)14(18)19-9-12-3-2-8-20-12/h2-8,16H,9H2,1H3/b17-13-
InChIKeyLVDUZJVZOKVGIZ-LGMDPLHJSA-N
XLogP3.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
CID 10956844
thiophen-2-ylmethyl 3-(4-methylanilino)propanoate
CID 60717468
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
1-chloroethyl thiophen-2-ylmethyl carbonate
CID 19937872
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate
CID 44891149
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798834
thiophen-2-ylmethyl 2-(4-methylphenyl)sulfonylpent-4-enoate
CID 86092895
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate?
The IUPAC name of thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate (CID 10518922) is thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate.
What is the SMILES notation for thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate?
The canonical SMILES for thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate is Cc1ccc(N/N=C(\Cl)C(=O)OCc2cccs2)cc1.
What is the InChIKey of thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate?
The InChIKey is LVDUZJVZOKVGIZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-10-4-6-11(7-5-10)16-17-13(15)14(18)19-9-12-3-2-8-20-12/h2-8,16H,9H2,1H3/b17-13-.
What are the key properties of thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate?
thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate has a molecular weight of 308.79 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 10518922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).