5-(O-CHLOROPHENYL)-7-ETHYL-1,2-DIHYDRO-3H-THIENO[2,3-E][1,4]DIAZEPINE-2-THIONE
한글명:5-(O-CHLOROPHENYL)-7-ETHYL-1,2-DIHYDRO-3H-THIENO[2,3-E][1,4]DIAZEPINE-2-THIONE
카스 번호40054-40-8
상품명:5-(O-CHLOROPHENYL)-7-ETHYL-1,2-DIHYDRO-3H-THIENO[2,3-E][1,4]DIAZEPINE-2-THIONE
CBNumberCB71504380
분자식C15H13ClN2S2
포뮬러 무게320.86
MOL 파일40054-40-8.mol
화학적 성질
녹는점 | 198-199℃ |
끓는 점 | 438.6±55.0 °C(Predicted) |
밀도 | 1.39 |
산도 계수 (pKa) | 9.99±0.40(Predicted) |
InChI | InChI=1S/C15H13ClN2S2/c1-2-9-7-11-14(10-5-3-4-6-12(10)16)17-8-13(19)18-15(11)20-9/h3-7H,2,8H2,1H3,(H,18,19) |
InChIKey | VWFRDTLDEMPIJT-UHFFFAOYSA-N |
SMILES | N1=C(C2=CC=CC=C2Cl)C2C=C(CC)SC=2NC(=S)C1 |