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Pidotimod Impurity B

CAT: 1299-RM-P136002-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P136002-01Size:10 mg
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CAS Number
72744-67-3
Synonyms
(5aR,10aR) -tetrahydrodithiazolo[3,4-a:3',4'-d]pyrazine-5,10 (3H,8H) -dione
Molecular Formula
C8H10N2O2S2
Molecular Weight
230.31
Target Alternative Name
Pidotimod
Product Name Synonym
(5aR,10aR) -tetrahydrodithiazolo[3,4-a:3',4'-d]pyrazine-5,10 (3H,8H) -dione

Chemical Information

(5aR,10aR)-Tetrahydrodithiazolo[3,4-a:3',4'-d]pyrazine-5,10(3H,8H)-dione
CAS Number72744-67-3
PubChem CID12575662
IUPAC Name(3R,9R)-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
Molecular FormulaC8H10N2O2S2
Molecular Weight230.3
XLogP0.2
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity280
SMILES
C1[C@H]2C(=O)N3CSC[C@H]3C(=O)N2CS1
InChI
InChI=1S/C8H10N2O2S2/c11-7-5-1-13-3-9(5)8(12)6-2-14-4-10(6)7/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKey
IBBKEOUUWVDDIT-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of (5aR,10aR)-Tetrahydrodithiazolo[3,4-a:3',4'-d]pyrazine-5,10(3H,8H)-dione
CAS: 72744-67-3
CID: 12575662
Formula: C8H10N2O2S2
MW: 230.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.3
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass230.01836991
Monoisotopic Mass230.01836991
Topological Polar Surface Area91.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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