Home Other Building Blocks 4,5,6,7-tetrahydro-2-benzothiophen-5-one

4,5,6,7-tetrahydro-2-benzothiophen-5-one

CAS No.:
117040-68-3
Catalog Number:
AG01CAAJ
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
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Product Description
Catalog Number:
AG01CAAJ
Chemical Name:
4,5,6,7-tetrahydro-2-benzothiophen-5-one
CAS Number:
117040-68-3
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD24704384
IUPAC Name:
6,7-dihydro-4H-2-benzothiophen-5-one
InChI:
InChI=1S/C8H8OS/c9-8-2-1-6-4-10-5-7(6)3-8/h4-5H,1-3H2
InChI Key:
AFXBAQIPVHXDIN-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1)csc2
Properties
Complexity:
155  
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:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties