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143392-70-5 | Thiomorpholine, 4-(2-benzoxazolylthio)-
CAS No: 143392-70-5 Catalog No: AG006V2B MDL No:
Product Description
Catalog Number:
AG006V2B
Chemical Name:
Thiomorpholine, 4-(2-benzoxazolylthio)-
CAS Number:
143392-70-5
Molecular Formula:
C11H12N2OS2
Molecular Weight:
252.3558
IUPAC Name:
2-thiomorpholin-4-ylsulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(14-10)16-13-5-7-15-8-6-13/h1-4H,5-8H2
InChI Key:
FMGXBRKDMFDJHM-UHFFFAOYSA-N
SMILES:
S1CCN(CC1)Sc1nc2c(o1)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:
252.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.35g/mol
Monoisotopic Mass:
252.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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