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19983-29-0 | Benzothiazole, 2-(1-pyrrolidinyl)- (8CI,9CI)
CAS No: 19983-29-0 Catalog No: AG00BLT8 MDL No:MFCD01417997
Product Description
Catalog Number:
AG00BLT8
Chemical Name:
Benzothiazole, 2-(1-pyrrolidinyl)- (8CI,9CI)
CAS Number:
19983-29-0
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD01417997
IUPAC Name:
2-pyrrolidin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H12N2S/c1-2-6-10-9(5-1)12-11(14-10)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChI Key:
IJFFUAQBZZXGLE-UHFFFAOYSA-N
SMILES:
C1CCN(C1)c1nc2c(s1)cccc2
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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