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931414-67-4

931414-67-4 | 2-(AZETIDIN-3-YLSULFANYL)-1,3-BENZOTHIAZOLE HYDROCHLORIDE

CAS No: 931414-67-4 Catalog No: AG01AT6T MDL No:MFCD26793058

Product Description

Catalog Number:
AG01AT6T
Chemical Name:
2-(AZETIDIN-3-YLSULFANYL)-1,3-BENZOTHIAZOLE HYDROCHLORIDE
CAS Number:
931414-67-4
Molecular Formula:
C10H11ClN2S2
Molecular Weight:
258.7907
MDL Number:
MFCD26793058
IUPAC Name:
2-(azetidin-3-ylsulfanyl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C10H10N2S2.ClH/c1-2-4-9-8(3-1)12-10(14-9)13-7-5-11-6-7;/h1-4,7,11H,5-6H2;1H
InChI Key:
BGUSNPYUCQGRRR-UHFFFAOYSA-N
SMILES:
N1CC(C1)Sc1nc2c(s1)cccc2.Cl

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.782g/mol
Monoisotopic Mass:
258.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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