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5- (2,4-Dichlorophenyl) thiazol-2-amine

CAT: 0127-OR1094928-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1094928-01Size:250 mg
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CAS Number
914206-20-5
MDL Number
MFCD03425119
Purity
97%
Smiles
C1 (ccc (cc1Cl) Cl) c1cnc (s1) N

Chemical Information

5-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine
CAS Number914206-20-5
PubChem CID33696059
IUPAC Name5-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13
XLogP3.5
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity205
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=CN=C(S2)N
InChI
InChI=1S/C9H6Cl2N2S/c10-5-1-2-6(7(11)3-5)8-4-13-9(12)14-8/h1-4H,(H2,12,13)
InChIKey
GBXKTYUWZPRMBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine
CAS: 914206-20-5
CID: 33696059
Formula: C9H6Cl2N2S
MW: 245.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight245.13
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass243.9628748
Monoisotopic Mass243.9628748
Topological Polar Surface Area67.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity205
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