Text Search
Structure Search

3-[2-(2-chloroethoxy)benzenesulfonyl]-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

3-[2-(2-chloroethoxy)benzenesulfonyl]-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

CAS: 82097-50-5

Formula: C14H16ClN5O5S

SMILES: COC1=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl)=NC(C)=N1

IUPAC: 3-[2-(2-chloroethoxy)benzenesulfonyl]-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

InChI: InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)

Composition: C (41.85%), H (4.01%), Cl (8.82%), N (17.43%), O (19.91%), S (7.98%)

Molar Mass: 401.82

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names triasulfuron
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 401.0560675
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey XOPFESVZMSQIKC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.16
Topological Polar Surface Area 132.4
Polarizability 36.31
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 82097-50-5 $49.16-$69.92$49.16$57.90$69.92
Request Quote
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 82097-50-5 $52.90-$949.90$52.90$309.35$949.90
Request Quote