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89076-09-5

89076-09-5 | Morpholine, 4-[(2,3-dihydro-2-benzothiazolyl)thio]-

CAS No: 89076-09-5 Catalog No: AG0040Y0 MDL No:

Product Description

Catalog Number:
AG0040Y0
Chemical Name:
Morpholine, 4-[(2,3-dihydro-2-benzothiazolyl)thio]-
CAS Number:
89076-09-5
Molecular Formula:
C11H14N2OS2
Molecular Weight:
254.3717
IUPAC Name:
4-(2,3-dihydro-1,3-benzothiazol-2-ylsulfanyl)morpholine
InChI:
InChI=1S/C11H14N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4,11-12H,5-8H2
InChI Key:
HQFQGKODXXFQAM-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)SC1Nc2c(S1)cccc2

Properties

Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.366g/mol
Monoisotopic Mass:
254.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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