Home Other Building Blocks 2,3-dihydro-1,4-benzoxathiine

2,3-dihydro-1,4-benzoxathiine

CAS No.:
6812-48-2
Catalog Number:
AG01AKRJ
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
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Product Description
Catalog Number:
AG01AKRJ
Chemical Name:
2,3-dihydro-1,4-benzoxathiine
CAS Number:
6812-48-2
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD18450473
IUPAC Name:
2,3-dihydro-1,4-benzoxathiine
InChI:
InChI=1S/C8H8OS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
InChI Key:
NHSOOAWURRKYMM-UHFFFAOYSA-N
SMILES:
C1COc2c(S1)cccc2
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Dihydrobenzo[1,4]oxathiine: A multi-potent pharmacophoric heterocyclic nucleus. Current medicinal chemistry 20100101
Properties