Text Search
Structure Search

4-[(2,4-dichlorophenyl)methyl]thiomorpholine-3,5-dione

4-[(2,4-dichlorophenyl)methyl]thiomorpholine-3,5-dione

CAS: 338953-59-6

Formula: C11H9Cl2NO2S

SMILES: ClC1=CC(Cl)=C(CN2C(=O)CSCC2=O)C=C1

IUPAC: 4-[(2,4-dichlorophenyl)methyl]thiomorpholine-3,5-dione

InChI: InChI=1S/C11H9Cl2NO2S/c12-8-2-1-7(9(13)3-8)4-14-10(15)5-17-6-11(14)16/h1-3H,4-6H2

Composition: C (45.53%), H (3.13%), Cl (24.43%), N (4.83%), O (11.03%), S (11.05%)

Molar Mass: 290.16

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 288.9731051
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XNGWBIOXTHPDBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.22
Topological Polar Surface Area 37.38
Polarizability 26.99
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Key Organics Ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338953-59-6 $51.35-$86.31$51.35$63.37$86.31
Request Quote