4-Methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid - CAS 1104276-29-0
Catalog: |
BB054715 |
Product Name: |
4-Methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid |
CAS: |
1104276-29-0 |
Synonyms: |
4-methyl-2-(pyrimidin-2-yl)-1,3-thiazole-5-carboxylic acid; 4-methyl-2-(pyrimidin-2-yl)thiazole-5-carboxylic acid |
IUPAC Name: | 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid |
Molecular Weight: | 221.24 |
Molecular Formula: | C9H7N3O2S |
Canonical SMILES: | CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)O |
InChI: | InChI=1S/C9H7N3O2S/c1-5-6(9(13)14)15-8(12-5)7-10-3-2-4-11-7/h2-4H,1H3,(H,13,14) |
InChI Key: | LSOLFLCPKUKMAX-UHFFFAOYSA-N |
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 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.02589765 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.02589765 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Pyrimidines
Oxazole/Thiazole
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS