Text Search
Structure Search

2-methyl-4-[(4-methylphenyl)methyl]-1??-thiomorpholine-1,1,3,5-tetrone

2-methyl-4-[(4-methylphenyl)methyl]-1??-thiomorpholine-1,1,3,5-tetrone

CAS: 344265-06-1

Formula: C13H15NO4S

SMILES: CC1C(=O)N(CC2=CC=C(C)C=C2)C(=O)CS1(=O)=O

IUPAC: 2-methyl-4-[(4-methylphenyl)methyl]-1??-thiomorpholine-1,1,3,5-tetrone

InChI: InChI=1/C13H15NO4S/c1-9-3-5-11(6-4-9)7-14-12(15)8-19(17,18)10(2)13(14)16/h3-6,10H,7-8H2,1-2H3

Composition: C (55.50%), H (5.37%), N (4.98%), O (22.75%), S (11.40%)

Molar Mass: 281.33

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.072179141
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZVRSXYGRYXPPCD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.99
Topological Polar Surface Area 71.52
Polarizability 27.92
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 344265-06-1 $51.35-$86.31$51.35$63.37$86.31
Request Quote