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SBP-2

CAT: 0931-T81198-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81198-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2494035-92-4
Target
Others
Related Pathways
Others
Bioactivity
SBP-2, a sulfite bioluminescent probe (SBP), detects sulfite through a mechanism involving sulfite-mediated intramolecular cleavage [1].
Smiles
C(O)(=O)[C@@H]1N=C(C2=NC=3C(S2)=CC(OC(CCCC(C)=O)=O)=CC3)SC1
Molecular Formula
C17H16N2O5S2
Molecular Weight
392.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4S)-2-[6-(5-oxohexanoyloxy)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CAS Number2494035-92-4
PubChem CID163408891
IUPAC Name(4S)-2-[6-(5-oxohexanoyloxy)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Molecular FormulaC17H16N2O5S2
Molecular Weight392.5
XLogP2.3
Topological Polar Surface Area159
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity612
SMILES
CC(=O)CCCC(=O)OC1=CC2=C(C=C1)N=C(S2)C3=N[C@H](CS3)C(=O)O
InChI
InChI=1S/C17H16N2O5S2/c1-9(20)3-2-4-14(21)24-10-5-6-11-13(7-10)26-16(18-11)15-19-12(8-25-15)17(22)23/h5-7,12H,2-4,8H2,1H3,(H,22,23)/t12-/m1/s1
InChIKey
FWCMYBYXXDCPNP-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of (4S)-2-[6-(5-oxohexanoyloxy)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CAS: 2494035-92-4
CID: 163408891
Formula: C17H16N2O5S2
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass392.05006396
Monoisotopic Mass392.05006396
Topological Polar Surface Area159 Ų
Heavy Atom Count26
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes