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1420899-46-2 | 2-((PYRROLIDIN-2-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS No: 1420899-46-2 Catalog No: AG01ASDB MDL No:MFCD24381577
Product Description
Catalog Number:
AG01ASDB
Chemical Name:
2-((PYRROLIDIN-2-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS Number:
1420899-46-2
Molecular Formula:
C12H15ClN2S2
Molecular Weight:
286.8439
MDL Number:
MFCD24381577
IUPAC Name:
2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C12H14N2S2.ClH/c1-2-6-11-10(5-1)14-12(16-11)15-8-9-4-3-7-13-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChI Key:
WRFUMHVTXSDKNS-UHFFFAOYSA-N
SMILES:
C1CNC(C1)CSc1nc2c(s1)cccc2.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.836g/mol
Monoisotopic Mass:
286.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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