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1261230-52-7 | 4-(Benzothiazol-2-ylamino)-cyclohexanol
CAS No: 1261230-52-7 Catalog No: AG01FC9K MDL No:
Product Description
Catalog Number:
AG01FC9K
Chemical Name:
4-(Benzothiazol-2-ylamino)-cyclohexanol
CAS Number:
1261230-52-7
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
4-(1,3-benzothiazol-2-ylamino)cyclohexan-1-ol
InChI:
InChI=1S/C13H16N2OS/c16-10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)17-13/h1-4,9-10,16H,5-8H2,(H,14,15)
InChI Key:
PRIGJAADWPRMQH-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)Nc1nc2c(s1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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