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UHDBT

CAT: 0931-T80905-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80905-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43152-58-5
Target
Others
Related Pathways
Others
Bioactivity
UHDBT acts as an inhibitor of the cytochrome bc1 complex Qo site, utilized in electron transfer research [1].
Smiles
O=C1C(O)=C(C(=O)C=2N=CSC12)CCCCCCCCCCC
Molecular Formula
C18H25NO3S
Molecular Weight
335.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-n-Undecyl-6-hydroxy-4,7-dioxobenzothiazole

inhibits oxidant-induced reduction of cytochrome b

CAS Number43152-58-5
PubChem CID3016416
IUPAC Name4-hydroxy-5-undecyl-1,3-benzothiazole-6,7-dione
Molecular FormulaC18H25NO3S
Molecular Weight335.5
XLogP5.9
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity461
SMILES
CCCCCCCCCCCC1=C(C2=C(C(=O)C1=O)SC=N2)O
InChI
InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,20H,2-11H2,1H3
InChIKey
VSIBLXWNANVQDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-n-Undecyl-6-hydroxy-4,7-dioxobenzothiazole
CAS: 43152-58-5
CID: 3016416
Formula: C18H25NO3S
MW: 335.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight335.5
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass335.15551483
Monoisotopic Mass335.15551483
Topological Polar Surface Area95.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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