6H-Purine-6-thione,9-ethyl-1,9-dihydro- 5427-20-3 CAS NO.5427-20-3

Min.Order: 1 Gram
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Product Details

Keywords

6H-Purine-6-thione,9-ethyl-1,9-dihydro-
5427-20-3
98%

Quick Details

ProName: 6H-Purine-6-thione,9-ethyl-1,9-dihydro...
CasNo: 5427-20-3
Molecular Formula: C7H8 N4 S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: As client's requirements
Port: Shanghai
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: As client's requirements
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
6H-Purine-6-thione,9-ethyl-1,9-dihydro-
【CAS Registry number】
5427-20-3
【Synonyms】
9H-Purine-6-thiol,9-ethyl- (6CI,7CI,8CI)
9-Ethyl-6-mercaptopurine
9-Ethyl-9H-purine-6(1H)-thione
9-Ethyl-9H-purine-6-thiol
NSC 14575
【Molecular Formula】
C7H8 N4 S (Products with the same molecular formula)
【Molecular Weight】
180.25
【Inchi】
InChI=1S/C7H8N4S/c1-2-11-4-10-5-6(11)8-3-9-7(5)12/h3-4H,2H2,1H3,(H,8,9,12)
【Canonical SMILES】
CCN1C=NC2=C1NC=NC2=S
【MOL File】
5427-20-3.mol
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:180.23022 [g/mol]
Molecular Formula:C7H8N4S
XLogP3-AA:0.4
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:180.046967
MonoIsotopic Mass:180.046967
Topological Polar Surface Area:74.3
Heavy Atom Count:12
Formal Charge:0
Complexity:227
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

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