6-Thioguanine

CAT: 0862-GP0033-250mgSize: 250 mgDry Ice: NoHazardous: Yes

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CAT#:0862-GP0033-250mgSize:250 mg

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CAS Number

154-42-7

EC Number

205-827-2

UN Code

2811

MDL Number

MFCD00233553

HS Code

29335995

Purity

96.00%

Molecular Formula

C5H5N5S

Molecular Weight

167.19

Storage Conditions

-20°C

Hazardous Class

True

Chemical Information

Thioguanine

Thioguanine can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	154-42-7
PubChem CID	2723601
IUPAC Name	2-amino-3,7-dihydropurine-6-thione
Molecular Formula	C5H5N5S
Molecular Weight	167.19
XLogP	-0.1
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	225

SMILES

C1=NC2=C(N1)C(=S)N=C(N2)N

InChI

InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

InChIKey

WYWHKKSPHMUBEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154-42-7

CID: 2723601

Formula: C5H5N5S

MW: 167.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	167.19
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	167.02656635
Monoisotopic Mass	167.02656635
Topological Polar Surface Area	111 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	225
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
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
40160003-1	6-Thioguanine
HY-13765R-01	6-Thioguanine (Standard)
A10929-500	6-Thioguanine 500mg
A10929-50	6-Thioguanine 50mg
A10929-100	6-Thioguanine 100mg
A4176-50	Thioguanine

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