Azathioprine Impurity 5

CAT: 1596-AR-A07760-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07760-01Size:10 Units

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

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CAS Number

253453-91-7

Molecular Formula

C4H5ClN2

Molecular Weight

116.014

API Name

Azathioprine

Chemical Information

2-Chloro-1-methyl-1H-imidazole

CAS Number	253453-91-7
PubChem CID	2773332
IUPAC Name	2-chloro-1-methylimidazole
Molecular Formula	C4H5ClN2
Molecular Weight	116.55
XLogP	0.1
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	66

SMILES

CN1C=CN=C1Cl

InChI

InChI=1S/C4H5ClN2/c1-7-3-2-6-4(7)5/h2-3H,1H3

InChIKey

VSCQFRRKWFQPOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 253453-91-7

CID: 2773332

Formula: C4H5ClN2

MW: 116.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.55
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	116.0141259
Monoisotopic Mass	116.0141259
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	66.7
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