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Ranitidine Impurity 8

CAT: 1596-AR-R10310-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R10310-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112233-24-6
Molecular Formula
C13H20N4O2S
Molecular Weight
296.39
API Name
Ranitidine

Chemical Information

(6Z)-6-[[5-[(dimethylamino)methyl]furan-2-yl]methoxyimino]-N-methyl-2,3-dihydro-1,4-thiazin-5-amine
CAS Number112233-24-6
PubChem CID136219922
IUPAC NameN,N-dimethyl-1-[5-[[(Z)-(3-methyliminothiomorpholin-2-ylidene)amino]oxymethyl]furan-2-yl]methanamine
Molecular FormulaC13H20N4O2S
Molecular Weight296.39
XLogP1.4
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity373
SMILES
CN=C1/C(=N/OCC2=CC=C(O2)CN(C)C)/SCCN1
InChI
InChI=1S/C13H20N4O2S/c1-14-12-13(20-7-6-15-12)16-18-9-11-5-4-10(19-11)8-17(2)3/h4-5H,6-9H2,1-3H3,(H,14,15)/b16-13-
InChIKey
ISUSOINTFIAQKZ-SSZFMOIBSA-N
Chemical Structure
2D Structure
2D structure of (6Z)-6-[[5-[(dimethylamino)methyl]furan-2-yl]methoxyimino]-N-methyl-2,3-dihydro-1,4-thiazin-5-amine
CAS: 112233-24-6
CID: 136219922
Formula: C13H20N4O2S
MW: 296.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.39
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass296.13069707
Monoisotopic Mass296.13069707
Topological Polar Surface Area87.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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