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931581-80-5 | 2-(AZETIDIN-3-YLSULFANYL)-1,3-BENZOTHIAZOLE
CAS No: 931581-80-5 Catalog No: AG01ATQ5 MDL No:MFCD16871950
Product Description
Catalog Number:
AG01ATQ5
Chemical Name:
2-(AZETIDIN-3-YLSULFANYL)-1,3-BENZOTHIAZOLE
CAS Number:
931581-80-5
MDL Number:
MFCD16871950
IUPAC Name:
2-(azetidin-3-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C10H10N2S2/c1-2-4-9-8(3-1)12-10(14-9)13-7-5-11-6-7/h1-4,7,11H,5-6H2
InChI Key:
PLHUCXIUSSCNBB-UHFFFAOYSA-N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.324g/mol
Monoisotopic Mass:
222.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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