Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate - CAS 306934-99-6
Catalog: |
BB020681 |
Product Name: |
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate |
CAS: |
306934-99-6 |
Synonyms: |
ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate |
IUPAC Name: | ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate |
Description: | Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate (CAS# 306934-99-6) is a useful research chemical. |
Molecular Weight: | 326.21 |
Molecular Formula: | C13H12BrNO2S |
Canonical SMILES: | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)N |
InChI: | InChI=1S/C13H12BrNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3 |
InChI Key: | SEWFWRCESBYGFS-UHFFFAOYSA-N |
Boiling Point: | 433.7 °C at 760 mmHg |
Melting Point: | 121-125 °C |
Purity: | 95 % |
Density: | 1.502 g/cm3 |
MDL: | MFCD00435056 |
LogP: | 4.51770 |
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 |
AU-2012340869-A1 | Thienopyrimidine inhibitors of atypical protein kinase C | 20111123 |
AU-2012340869-B2 | Thienopyrimidine inhibitors of atypical protein kinase C | 20111123 |
AU-2017203725-A1 | Thienopyrimidine inhibitors of atypical protein kinase C | 20111123 |
AU-2017203725-B2 | Thienopyrimidine inhibitors of atypical protein kinase C | 20111123 |
CA-2855446-A1 | Thienopyrimidine inhibitors of atypical protein kinase c | 20111123 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.97721 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.97721 |
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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Thiophenes
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