2-Amino-4-(4-iodophenyl)thiazole - CAS 31699-14-6
Catalog: |
BB021028 |
Product Name: |
2-Amino-4-(4-iodophenyl)thiazole |
CAS: |
31699-14-6 |
Synonyms: |
4-(4-iodophenyl)-2-thiazolamine; 4-(4-iodophenyl)-1,3-thiazol-2-amine |
IUPAC Name: | 4-(4-iodophenyl)-1,3-thiazol-2-amine |
Description: | 2-Amino-4-(4-iodophenyl)thiazole (CAS# 31699-14-6) is a useful research chemical. |
Molecular Weight: | 302.13 |
Molecular Formula: | C9H7IN2S |
Canonical SMILES: | C1=CC(=CC=C1C2=CSC(=N2)N)I |
InChI: | InChI=1S/C9H7IN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12) |
InChI Key: | CBCNLOOXYGEQQZ-UHFFFAOYSA-N |
Boiling Point: | 419.9 °C at 760 mmHg |
Density: | 1.867 g/cm3 |
LogP: | 3.57810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2009325987-A1 | Quinazolinedione derivatives as trpa1 modulators | 20080617 |
US-7951814-B2 | Quinazolinedione derivatives as TRPA1 modulators | 20080617 |
WO-2010004390-A1 | Quinazoline dione derivatives as trpa1 modulators | 20080617 |
WO-2009118596-A2 | Phthalimide derivatives as trpa1 modulators | 20080326 |
EP-2203435-B1 | 6, 11-bridged biaryl macrolides | 20070917 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.93747 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.93747 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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