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6949-86-6 | Benzothiazole,2-[(4-morpholinylmethyl)thio]-
CAS No: 6949-86-6 Catalog No: AG005L66 MDL No:
Product Description
Catalog Number:
AG005L66
Chemical Name:
Benzothiazole,2-[(4-morpholinylmethyl)thio]-
CAS Number:
6949-86-6
Molecular Formula:
C12H14N2OS2
Molecular Weight:
266.3824
IUPAC Name:
4-(1,3-benzothiazol-2-ylsulfanylmethyl)morpholine
InChI:
InChI=1S/C12H14N2OS2/c1-2-4-11-10(3-1)13-12(17-11)16-9-14-5-7-15-8-6-14/h1-4H,5-9H2
InChI Key:
USLDGEPFWWDCKO-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)CSc1nc2c(s1)cccc2
NSC Number:
34234
Properties
Complexity:
249
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:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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