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2,2'-Bithiazole

CAT: 0127-OR1059150-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1059150-02Size:250 mg
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CAS Number
13816-21-2
MDL Number
MFCD04971311
Purity
97%
Smiles
C1(C2=NC=CS2)=NC=CS1

Chemical Information

NoName_3303
CAS Number13816-21-2
PubChem CID819109
IUPAC Name2-(1,3-thiazol-2-yl)-1,3-thiazole
Molecular FormulaC6H4N2S2
Molecular Weight168.2
XLogP1.7
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity106
SMILES
C1=CSC(=N1)C2=NC=CS2
InChI
InChI=1S/C6H4N2S2/c1-3-9-5(7-1)6-8-2-4-10-6/h1-4H
InChIKey
SMSLWFZHCONMGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NoName_3303
CAS: 13816-21-2
CID: 819109
Formula: C6H4N2S2
MW: 168.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass167.98159048
Monoisotopic Mass167.98159048
Topological Polar Surface Area82.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity106
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