730992-67-3
6-CHLORO-8-([(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
Name6-CHLORO-8-([(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
FormulaC14 H10 Cl N3 O3 S
1Identification
【Name】
6-CHLORO-8-([(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD04624260
【English Synonyms】
【Formula】
C14 H10 Cl N3 O3 S
【MolWeight】
335.77
【Inchi】
InChI=1S/C14H10ClN3O3S/c1-18-7-16-17-14(18)22-6-8-2-10(15)3-11-12(20)9(4-19)5-21-13(8)11/h2-5,7H,6H2,1H3
【InChIKey】
InChIKey=PUCIWBGMYCZVJZ-UHFFFAOYSA-N
【SMILES】
Cn1cnnc1SCc2cc(cc3c2occ(c3=O)C=O)Cl
【MOL File】
6-CHLORO-8-([(4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-8-([(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)-4-OXO-4H-CHROMENE-3-CARBALDEHYDE.cml