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1420850-00-5 | 2-(PYRROLIDIN-3-YLTHIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS No: 1420850-00-5 Catalog No: AG01ASDA MDL No:MFCD24381574
Product Description
Catalog Number:
AG01ASDA
Chemical Name:
2-(PYRROLIDIN-3-YLTHIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS Number:
1420850-00-5
Molecular Formula:
C11H13ClN2S2
Molecular Weight:
272.8173
MDL Number:
MFCD24381574
IUPAC Name:
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C11H12N2S2.ClH/c1-2-4-10-9(3-1)13-11(15-10)14-8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChI Key:
WBEPTXODXIIRNJ-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Sc1nc2c(s1)cccc2.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.809g/mol
Monoisotopic Mass:
272.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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