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183-31-3 | 3H-spiro[1,3-benzothiazole-2,1'-cyclopentane]
CAS No: 183-31-3 Catalog No: AG00IRTP MDL No:MFCD01935547
Product Description
Catalog Number:
AG00IRTP
Chemical Name:
3H-spiro[1,3-benzothiazole-2,1'-cyclopentane]
CAS Number:
183-31-3
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
MDL Number:
MFCD01935547
IUPAC Name:
spiro[3H-1,3-benzothiazole-2,1'-cyclopentane]
InChI:
InChI=1S/C11H13NS/c1-2-6-10-9(5-1)12-11(13-10)7-3-4-8-11/h1-2,5-6,12H,3-4,7-8H2
InChI Key:
VOYZBGVSNIQACE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)SC1(N2)CCCC1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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