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89001-09-2 | Morpholine, 4-[(4-methyl-2-benzothiazolyl)thio]-
CAS No: 89001-09-2 Catalog No: AG0088ZA MDL No:
Product Description
Catalog Number:
AG0088ZA
Chemical Name:
Morpholine, 4-[(4-methyl-2-benzothiazolyl)thio]-
CAS Number:
89001-09-2
Molecular Formula:
C12H14N2OS2
Molecular Weight:
266.3824
IUPAC Name:
4-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]morpholine
InChI:
InChI=1S/C12H14N2OS2/c1-9-3-2-4-10-11(9)13-12(16-10)17-14-5-7-15-8-6-14/h2-4H,5-8H2,1H3
InChI Key:
QYZGIOUWJZGMEM-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc(s2)SN1CCOCC1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.377g/mol
Monoisotopic Mass:
266.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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