Products for Research Use Only

RE 11775

CAT: 0931-T26051-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26051-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25474-41-3
Target
Others
Related Pathways
Others
Bioactivity
RE 11775 is used as a carbamate insecticide with promising activity against organophosphorus-resistant mosquitoes.
Smiles
O=C(OC1=CC=CC(=C1)C(C)CC)N(SC=2C=CC=CC2)C
Molecular Formula
C18H21NO2S
Molecular Weight
315.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RE 11775
CAS Number25474-41-3
PubChem CID20389236
IUPAC Name(3-butan-2-ylphenyl) N-methyl-N-phenylsulfanylcarbamate
Molecular FormulaC18H21NO2S
Molecular Weight315.4
XLogP5.3
Topological Polar Surface Area54.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity344
SMILES
CCC(C)C1=CC(=CC=C1)OC(=O)N(C)SC2=CC=CC=C2
InChI
InChI=1S/C18H21NO2S/c1-4-14(2)15-9-8-10-16(13-15)21-18(20)19(3)22-17-11-6-5-7-12-17/h5-14H,4H2,1-3H3
InChIKey
AAZGQKRJFDNXHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RE 11775
CAS: 25474-41-3
CID: 20389236
Formula: C18H21NO2S
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass315.12930009
Monoisotopic Mass315.12930009
Topological Polar Surface Area54.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes