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SPK-601

CAT: 0931-T16920-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16920-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1096687-52-3
Target
Others, Reverse Transcriptase, Phospholipase
Related Pathways
Microbiology/Virology, Metabolism, Others
Bioactivity
SPK-601 is an inhibitor of phosphatidylcholine-specific phospholipase C.
Smiles
[K].[H][C@]12CCC[C@@]1([H])[C@H]1C[C@@H]2C[C@@H]1OC(S)=S |TLB:13:12:6.2:9,3:2:9:12.11,THB:5:6:9:12.11|
Molecular Formula
C11H16KOS2
Molecular Weight
267.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Unii-9K6idm1E83
CAS Number1096687-52-3
PubChem CID46909535
IUPAC Namepotassium [(1R,2R,6R,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
Molecular FormulaC11H15KOS2
Molecular Weight266.5
Topological Polar Surface Area42.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity271
SMILES
C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C[C@@H]3OC(=S)[S-].[K+]
InChI
InChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1/t6-,7-,8-,9-,10+;/m1./s1
InChIKey
IGULCCCBGBDZKQ-UATZLORTSA-M
Chemical Structure
2D Structure
2D structure of Unii-9K6idm1E83
CAS: 1096687-52-3
CID: 46909535
Formula: C11H15KOS2
MW: 266.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass266.02013893
Monoisotopic Mass266.02013893
Topological Polar Surface Area42.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes