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Tebipenem Pivoxil Impurity 3

CAT: 1596-AR-T01262-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01262-01Size:10 Units
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CAS Number
179337-57-6
Synonyms
1- (4,5-dihydrothiazol-2-yl) azetidine-3-thiol hydrochloride; 1- (4,5-Dihydro-2-thiazolyl) -3-azetidinethiol Monohydrochloride; 2- (3-Mercaptoazetidin-1-yl) -2-thiazoline Hydrochloride; 3-Mercapto-1- (1,3-thiazolin-2-yl) azetidine Hydrochloride
Molecular Formula
C6H11ClN2S2
Molecular Weight
210.74
API Name
Tebipenem Pivoxil

Chemical Information

1-(4,5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride
CAS Number179337-57-6
PubChem CID11974883
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride
Molecular FormulaC6H11ClN2S2
Molecular Weight210.8
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
C1CSC(=N1)N2CC(C2)S.Cl
InChI
InChI=1S/C6H10N2S2.ClH/c9-5-3-8(4-5)6-7-1-2-10-6;/h5,9H,1-4H2;1H
InChIKey
WLQPQHGYHHHITD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4,5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride
CAS: 179337-57-6
CID: 11974883
Formula: C6H11ClN2S2
MW: 210.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass210.0052184
Monoisotopic Mass210.0052184
Topological Polar Surface Area41.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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