2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid - CAS 137267-29-9
Catalog: |
BB008534 |
Product Name: |
2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid |
CAS: |
137267-29-9 |
Synonyms: |
4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid |
Description: | 2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid (CAS# 137267-29-9) is a useful research chemical. |
Molecular Weight: | 185.24 |
Molecular Formula: | C8H11NO2S |
Canonical SMILES: | CC1=C(SC(=N1)C(C)C)C(=O)O |
InChI: | InChI=1S/C8H11NO2S/c1-4(2)7-9-5(3)6(12-7)8(10)11/h4H,1-3H3,(H,10,11) |
InChI Key: | MLCHZLUFNGBRSL-UHFFFAOYSA-N |
Boiling Point: | 309.4 °C at 760 mmHg |
Density: | 1.226 g/cm3 |
MDL: | MFCD09864423 |
LogP: | 2.27310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, 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 |
US-10344026-B2 | Compositions and methods of targeting mutant K-ras | 20170118 |
US-2018201610-A1 | Compositions and methods of targeting mutant k-ras | 20170118 |
EP-3277678-A1 | Compositions and methods of targeting mutant k-ras | 20150403 |
EP-3277678-B1 | Compositions and methods of targeting mutant k-ras | 20150403 |
US-10487078-B2 | Compositions and methods of targeting mutant K-RAS | 20150403 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS