885460-57-1
ETHYL 4-CHLORO-2-([(2-CYANOETHYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 4-CHLORO-2-([(2-CYANOETHYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
FormulaC14 H14 Cl N3 O2 S2
1Identification
【Name】
ETHYL 4-CHLORO-2-([(2-CYANOETHYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD06660718
【English Synonyms】
【Formula】
C14 H14 Cl N3 O2 S2
【MolWeight】
355.869
【Inchi】
InChI=1S/C14H14ClN3O2S2/c1-3-20-14(19)11-8(2)10-12(15)17-9(18-13(10)22-11)7-21-6-4-5-16/h3-4,6-7H2,1-2H3
【InChIKey】
InChIKey=JFEFDGOIHWXLOH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2c(s1)nc(nc2Cl)CSCCC#N)C
【MOL File】
ETHYL 4-CHLORO-2-([(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-CHLORO-2-([(2-CYANOETHYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml