Home Other Building Blocks 5-Isothiazolamine, 3-phenyl-

5-Isothiazolamine, 3-phenyl-

CAS No.:
14208-52-7
Catalog Number:
AG001HQ7
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
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Product Description
Catalog Number:
AG001HQ7
Chemical Name:
5-Isothiazolamine, 3-phenyl-
CAS Number:
14208-52-7
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
MDL Number:
MFCD07382685
IUPAC Name:
3-phenyl-1,2-thiazol-5-amine
InChI:
InChI=1S/C9H8N2S/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChI Key:
DHGKYVMNSHRALD-UHFFFAOYSA-N
SMILES:
Nc1snc(c1)c1ccccc1
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties