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121714-55-4 | 4'-phenyl-3H-spiro[1,3-benzothiazole-2,1'-cyclohexane]
CAS No: 121714-55-4 Catalog No: AG00IW9Z MDL No:MFCD16140316
Product Description
Catalog Number:
AG00IW9Z
Chemical Name:
4'-phenyl-3H-spiro[1,3-benzothiazole-2,1'-cyclohexane]
CAS Number:
121714-55-4
Molecular Formula:
C18H19NS
Molecular Weight:
281.4152
MDL Number:
MFCD16140316
IUPAC Name:
4'-phenylspiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
InChI:
InChI=1S/C18H19NS/c1-2-6-14(7-3-1)15-10-12-18(13-11-15)19-16-8-4-5-9-17(16)20-18/h1-9,15,19H,10-13H2
InChI Key:
PRHSHSBELQVCKN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1CCC2(CC1)Nc1c(S2)cccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.417g/mol
Monoisotopic Mass:
281.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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