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182-53-6 | Spiro[benzothiazole-2(3H),1'-cyclohexane]
CAS No: 182-53-6 Catalog No: AG00239X MDL No:MFCD00022809
Product Description
Catalog Number:
AG00239X
Chemical Name:
Spiro[benzothiazole-2(3H),1'-cyclohexane]
CAS Number:
182-53-6
Molecular Formula:
C12H15NS
Molecular Weight:
205.3192
MDL Number:
MFCD00022809
IUPAC Name:
spiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
InChI:
InChI=1S/C12H15NS/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7,13H,1,4-5,8-9H2
InChI Key:
KFQBMGYBVHJESL-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)Nc1c(S2)cccc1
NSC Number:
525367
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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