Text Search
Structure Search

4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

CAS: 1287651-45-9

Formula: C11H7NO3S2

SMILES: OC(=O)C1=CC=C(C=C2/SC(=S)NC2=O)C=C1

IUPAC: 4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

InChI: InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)/b8-5-

Composition: C (49.80%), H (2.66%), N (5.28%), O (18.09%), S (24.17%)

Molar Mass: 265.3

Atom Count: 24

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.986735437
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CEGWYNRNQDQLNJ-YVMONPNESA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.47
Topological Polar Surface Area 66.4
Polarizability 26.81
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
ChemBridge Corp.
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1287651-45-9 $58.65$58.65
Request Quote