586986-26-7
3,4,6-TRICHLORO-N-(TETRAHYDRO-1,1-DIOXIDO-3-THIENYL)-N-(2-THIENYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name3,4,6-TRICHLORO-N-(TETRAHYDRO-1,1-DIOXIDO-3-THIENYL)-N-(2-THIENYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
FormulaC18 H14 Cl3 N O3 S3
1Identification
【Name】
3,4,6-TRICHLORO-N-(TETRAHYDRO-1,1-DIOXIDO-3-THIENYL)-N-(2-THIENYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD04031059
【English Synonyms】
【Formula】
C18 H14 Cl3 N O3 S3
【MolWeight】
494.87
【Inchi】
InChI=1S/C18H14Cl3NO3S3/c19-10-6-13(20)15-14(7-10)27-17(16(15)21)18(23)22(8-12-2-1-4-26-12)11-3-5-28(24,25)9-11/h1-2,4,6-7,11H,3,5,8-9H2
【InChIKey】
InChIKey=PZOUMXMEMJCFOA-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)CN(C2CCS(=O)(=O)C2)C(=O)c3c(c4c(s3)cc(cc4Cl)Cl)Cl
【MOL File】
3,4,6-TRICHLORO-N-(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4,6-TRICHLORO-N-(TETRAHYDRO-1,1-DIOXIDO-3-THIENYL)-N-(2-THIENYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml