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SPK-601

CAT: 0013-GTR19203074-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203074-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SPK-601
CAS Number
1096687-52-3
Field of Research
Infectious Disease & Virology, Metabolism Research
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
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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