N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
한글명:N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
카스 번호302964-08-5
상품명:N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
CBNumberCB51473109
분자식C16H13Cl2N5OS
포뮬러 무게394.28
MOL 파일302964-08-5.mol
화학적 성질
녹는점 | 333-335°C |
끓는 점 | 566.95° C (Predicted) |
밀도 | 1.516±0.06 g/cm3(Predicted) |
굴절률 | n20D 1.72 (Predicted) |
저장 조건 | Inert atmosphere,2-8°C |
용해도 | DMSO (약간 용해됨) |
산도 계수 (pKa) | 10.92±0.70(Predicted) |
물리적 상태 | 고체 |
물리적 상태 | 단단한 모양 |
색상 | 옅은 노랑 |
수용성 | Slightly soluble in water |
InChI | InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22) |
InChIKey | LMXUWARKUIELGT-UHFFFAOYSA-N |
SMILES | S1C(C(NC2=C(C)C=CC=C2Cl)=O)=CN=C1NC1C=C(Cl)N=C(C)N=1 |
CAS 데이터베이스 | 302964-08-5(CAS DataBase Reference) |