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1249377-21-6 | 2-(PYRROLIDIN-3-YLSULFANYL)-1,3-BENZOTHIAZOLE
CAS No: 1249377-21-6 Catalog No: AG01ATMV MDL No:MFCD16709779
Product Description
Catalog Number:
AG01ATMV
Chemical Name:
2-(PYRROLIDIN-3-YLSULFANYL)-1,3-BENZOTHIAZOLE
CAS Number:
1249377-21-6
MDL Number:
MFCD16709779
IUPAC Name:
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C11H12N2S2/c1-2-4-10-9(3-1)13-11(15-10)14-8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChI Key:
RMPSONBXKRRYFM-UHFFFAOYSA-N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.351g/mol
Monoisotopic Mass:
236.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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