(4E)-4-{2-[(2Z)-3-ethyl-1,3-thiazolidin-2-ylidene]ethylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4E)-4-{2-[(2Z)-3-ethyl-1,3-thiazolidin-2-ylidene]ethylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C16H15N3OS2

SMILES: CCN1CCSC1=C/C=C1/SC2=NC3=CC=CC=C3N2C1=O

IUPAC: (4E)-4-{2-[(2Z)-3-ethyl-1,3-thiazolidin-2-ylidene]ethylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

InChI: InChI=1S/C16H15N3OS2/c1-2-18-9-10-21-14(18)8-7-13-15(20)19-12-6-4-3-5-11(12)17-16(19)22-13/h3-8H,2,9-10H2,1H3/b13-7+,14-8-

Composition: C (58.33%), H (4.59%), N (12.76%), O (4.86%), S (19.46%)

Molar Mass: 329.44

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 329.065654463
Formal Charge 0
FSP3 0.25
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey USDPUTGLKXUGSY-GUZOQHLSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.03
Topological Polar Surface Area 38.13
Polarizability 36.63
Ring Count 4
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15N3OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote