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8-pCPT-Ade

CAT: 1106-BLG-C069-50Size: 5x 10 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-C069-50Size:5x 10 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
696574-61-5
Product Name Alternative
8- (4-Chlorophenylthio) adenine
Certification
RUO
Type
Modified nucleotides
Purity
> 95% HPLC
Solubility
Soluble in DMSO or DMF.
Molecular Formula
C 11 H 8 ClN 5 S
Molecular Weight
277.7
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

8-(4-Chlorophenylthio)adenine
CAS Number696574-61-5
PubChem CID944388
IUPAC Name8-(4-chlorophenyl)sulfanyl-7H-purin-6-amine
Molecular FormulaC11H8ClN5S
Molecular Weight277.73
XLogP2.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity287
SMILES
C1=CC(=CC=C1SC2=NC3=NC=NC(=C3N2)N)Cl
InChI
InChI=1S/C11H8ClN5S/c12-6-1-3-7(4-2-6)18-11-16-8-9(13)14-5-15-10(8)17-11/h1-5H,(H3,13,14,15,16,17)
InChIKey
YHRBNTRFUBHISO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-Chlorophenylthio)adenine
CAS: 696574-61-5
CID: 944388
Formula: C11H8ClN5S
MW: 277.73
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.73
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass277.0188941
Monoisotopic Mass277.0188941
Topological Polar Surface Area106 Ų
Heavy Atom Count18
Formal Charge0
Complexity287
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