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3-Phenylisothiazol-5-amine

CAT: 0926-PAA20852-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-PAA20852-01Size:0.5 g
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CAS Number
14208-52-7
MDL Number
MFCD07382685
Smiles
C1=CC=C (C=C1) C2=NSC (=C2) N
Molecular Formula
C9H8N2S
Molecular Weight
176.24 g/mol
Controlled
No

Chemical Information

3-Phenyl-1,2-thiazol-5-amine
CAS Number14208-52-7
PubChem CID12603879
IUPAC Name3-phenyl-1,2-thiazol-5-amine
Molecular FormulaC9H8N2S
Molecular Weight176.24
XLogP2.3
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity145
SMILES
C1=CC=C(C=C1)C2=NSC(=C2)N
InChI
InChI=1S/C9H8N2S/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKey
DHGKYVMNSHRALD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenyl-1,2-thiazol-5-amine
CAS: 14208-52-7
CID: 12603879
Formula: C9H8N2S
MW: 176.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.24
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass176.04081944
Monoisotopic Mass176.04081944
Topological Polar Surface Area67.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity145
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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