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2-Phenyl-4-thiazolamine

CAT: 0572-TRC-T344228-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344228-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123970-57-0
Hazard Statement
No Data Available
Smiles
Nc1csc(n1)c2ccccc2
Molecular Formula
C9 H8 N2 S
Molecular Weight
176.238
InChI
InChI=1S/C9H8N2S/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H,10H2
Additionnal Information
IUPAC name: 2-phenyl-1,3-thiazol-4-amine
Shipping Conditions
Room Temperature

Chemical Information

2-Phenyl-1,3-thiazol-4-amine
CAS Number123970-57-0
PubChem CID14612961
IUPAC Name2-phenyl-1,3-thiazol-4-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=NC(=CS2)N
InChI
InChI=1S/C9H8N2S/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H,10H2
InChIKey
BVQGIJQRHQGPHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenyl-1,3-thiazol-4-amine
CAS: 123970-57-0
CID: 14612961
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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