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D-Luciferin 100mg

CAT: 0628-A13789-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13789-100Size:100 mg
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CAS Number
2591-17-5

Chemical Information

Firefly Luciferin

Photinus luciferin is a member of benzothiazoles, a 1,3-thiazolemonocarboxylic acid and an imidothioate. It has a role as a luciferin. It is a conjugate acid of a Photinus luciferin(1-). It is an enantiomer of an ent-Photinus luciferin.

CAS Number2591-17-5
PubChem CID92934
IUPAC Name(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Molecular FormulaC11H8N2O3S2
Molecular Weight280.3
XLogP2.2
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity390
SMILES
C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O
InChI
InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1
InChIKey
BJGNCJDXODQBOB-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of Firefly Luciferin
CAS: 2591-17-5
CID: 92934
Formula: C11H8N2O3S2
MW: 280.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.3
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass279.99763447
Monoisotopic Mass279.99763447
Topological Polar Surface Area136 Ų
Heavy Atom Count18
Formal Charge0
Complexity390
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

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