Text Search
Structure Search

5-(2,6-dichlorophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(2,6-dichlorophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C17H16Cl2N2OS

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=C(Cl)C=CC=C1Cl

IUPAC: 5-(2,6-dichlorophenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C17H16Cl2N2OS/c1-8-5-6-9-12(7-8)23-17-13(9)16(22)20-15(21-17)14-10(18)3-2-4-11(14)19/h2-4,8,15,21H,5-7H2,1H3,(H,20,22)

Composition: C (55.59%), H (4.39%), Cl (19.30%), N (7.63%), O (4.36%), S (8.73%)

Molar Mass: 367.29

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 366.0360397
Formal Charge 0
FSP3 0.35
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey JGMLVNJJJKURTE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 95.45
Topological Polar Surface Area 41.13
Polarizability 35.79
Ring Count 4
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16Cl2N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote