Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate - CAS 91076-94-7
Catalog: |
BB040037 |
Product Name: |
Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate |
CAS: |
91076-94-7 |
Synonyms: |
ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate |
IUPAC Name: | ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate |
Description: | Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate (CAS# 91076-94-7) is a useful research chemical. |
Molecular Weight: | 281.76 |
Molecular Formula: | C13H12ClNO2S |
Canonical SMILES: | CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N |
InChI: | InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3 |
InChI Key: | VOIKQRXCKXHXNF-UHFFFAOYSA-N |
Boiling Point: | 472.8 °C at 760 mmHg |
Density: | 1.323 g/cm3 |
MDL: | MFCD06336766 |
LogP: | 4.40860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2011168556-A | Process for producing 5-aryl-3-amino-2-alkoxycarbonylthiophene compound | 20100222 |
US-2011190285-A1 | Methods of treating a botulinum toxin related condition in a subject | 20080919 |
US-2011034521-A1 | Compounds and methods for treating zinc matrix metalloprotease dependent diseases | 20070928 |
US-2008287465-A1 | Cyclic N-Hydroxy Imides as Inhibitors of Flap Endonuclease and Uses Thereof | 20040721 |
US-7947691-B2 | Cyclic n-hydroxy imides as inhibitors of flap endonuclease and uses thereof | 20040721 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.0277275 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.0277275 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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