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1384429-73-5 | 2-(azetidin-3-yl)-1,3-benzothiazole dihydrochloride
CAS No: 1384429-73-5 Catalog No: AG019ZF9 MDL No:MFCD22369930
Product Description
Catalog Number:
AG019ZF9
Chemical Name:
2-(azetidin-3-yl)-1,3-benzothiazole dihydrochloride
CAS Number:
1384429-73-5
Molecular Formula:
C10H12Cl2N2S
Molecular Weight:
263.1867
MDL Number:
MFCD22369930
IUPAC Name:
2-(azetidin-3-yl)-1,3-benzothiazole;dihydrochloride
InChI:
InChI=1S/C10H10N2S.2ClH/c1-2-4-9-8(3-1)12-10(13-9)7-5-11-6-7;;/h1-4,7,11H,5-6H2;2*1H
InChI Key:
XGLIPYJNKVTCGX-UHFFFAOYSA-N
SMILES:
N1CC(C1)c1nc2c(s1)cccc2.Cl.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.18g/mol
Monoisotopic Mass:
262.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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