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Flomoxef Impurity 11

CAT: 1596-AR-F01548-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01548-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56610-81-2
Synonyms
2- (5-mercapto-1H-tetrazol-1-yl) ethanol;1,2-Dihydro-1- (2-hydroxyethyl) -5H-tetrazole-5-thione; 1- (2-Hydroxyethyl) -1H-tetrazole-5-thiol; 1- (2-Hydroxyethyl) -5-mercapto-1H-tetrazole; 1- (2-Hydroxyethyl) -5-mercaptotetrazole; 1- (2-Hydroxyethyl) tetrazole-5-thiol; 5-Mercapto-1- (2-hydroxyethyl) -1H-tetrazole; 5-Mercapto-1-tetrazoleethanol; [1- (2-Hydroxyethyl) -1H-1H-tetrazol-5-yl]thiol; N-hydroxyethyltetrazolethiol
Molecular Formula
C3H6N4OS
Molecular Weight
146.17
API Name
Flomoxef

Chemical Information

2-(5-Mercaptotetrazole-1-yl)ethanol
CAS Number56610-81-2
PubChem CID10307870
IUPAC Name1-(2-hydroxyethyl)-2H-tetrazole-5-thione
Molecular FormulaC3H6N4OS
Molecular Weight146.17
XLogP0.6
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity147
SMILES
C(CO)N1C(=S)N=NN1
InChI
InChI=1S/C3H6N4OS/c8-2-1-7-3(9)4-5-6-7/h8H,1-2H2,(H,4,6,9)
InChIKey
YKYUEQRWYGVUKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Mercaptotetrazole-1-yl)ethanol
CAS: 56610-81-2
CID: 10307870
Formula: C3H6N4OS
MW: 146.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.17
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass146.02623200
Monoisotopic Mass146.02623200
Topological Polar Surface Area92.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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