Thiamiprine

CAT: 0926-FT28203-02Size: 2 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FT28203-02Size:2 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

5581-52-2

Synonyms

6-[ (1-Methyl-4-nitro-1H-imidazol-5-yl) thio]-9H-purin-2-amine; 2-Amino-6-[ (1-methyl-4-nitroimidazol-5-yl) thio]purine; Aminoazathioprin; Guaneran

MDL Number

MFCD00049228

Smiles

CN1C=NC (=C1SC2=NC (=NC3=C2NC=N3) N) [N+] (=O) [O-]

Molecular Formula

C9H8N8O2S

Molecular Weight

292.28 g/mol

Controlled

Chemical Information

Thiamiprine

Tiamiprine is an aryl sulfide.

CAS Number	5581-52-2
PubChem CID	3379405
IUPAC Name	6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine
Molecular Formula	C9H8N8O2S
Molecular Weight	292.28
XLogP	-0.2
Topological Polar Surface Area	169
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	381

SMILES

CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)

InChIKey

YFTWHEBLORWGNI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5581-52-2

CID: 3379405

Formula: C9H8N8O2S

MW: 292.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.28
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	292.04909270
Monoisotopic Mass	292.04909270
Topological Polar Surface Area	169 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	381
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

Catalog	Name
MBS6045406-01	Thiamiprine
HY-119530R	Thiamiprine (Standard)
AR-A03096-01	Azathioprine EP Impurity G (Thiamiprine)