ethyl 2-arsanylthiophene-3-carboxylate

C7H9AsO2S — CID 173196725

IUPACethyl 2-arsanylthiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1[AsH2]
InChIInChI=1S/C7H9AsO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2,8H2,1H3
InChIKeyLNLJIAMDPOBCAE-UHFFFAOYSA-N
MW232.14 g/mol
LogP0.18
Rot. Bonds2

About ethyl 2-arsanylthiophene-3-carboxylate

ethyl 2-arsanylthiophene-3-carboxylate (PubChem CID 173196725) has the molecular formula C7H9AsO2S and a molecular weight of 232.14 g/mol. Its IUPAC name is ethyl 2-arsanylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-arsanylthiophene-3-carboxylate
PubChem CID173196725
Molecular FormulaC7H9AsO2S
Molecular Weight232.14 g/mol
Exact Mass231.95
IUPAC Nameethyl 2-arsanylthiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1[AsH2]
InChIInChI=1S/C7H9AsO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2,8H2,1H3
InChIKeyLNLJIAMDPOBCAE-UHFFFAOYSA-N
XLogP0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[carbamoyl(ethyl)amino]thiophene-3-carboxylate
CID 54007787
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
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ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(2,2-dicyanoethenyl)thiophene-3-carboxylate
CID 170872032
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 4-chloro-1-benzothiophene-5-carboxylate
CID 23511308
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxylate
CID 166607481
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-arsanylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-arsanylthiophene-3-carboxylate (CID 173196725) is ethyl 2-arsanylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-arsanylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-arsanylthiophene-3-carboxylate is CCOC(=O)c1ccsc1[AsH2].
What is the InChIKey of ethyl 2-arsanylthiophene-3-carboxylate?
The InChIKey is LNLJIAMDPOBCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9AsO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2,8H2,1H3.
What are the key properties of ethyl 2-arsanylthiophene-3-carboxylate?
ethyl 2-arsanylthiophene-3-carboxylate has a molecular weight of 232.14 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-arsanylthiophene-3-carboxylate is sourced from PubChem (CID 173196725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).