Home Other Building Blocks 4H,5H,6H,7H,8H-cyclohepta[b]thiophen-5-one

4H,5H,6H,7H,8H-cyclohepta[b]thiophen-5-one

CAS No.:
1017589-87-5
Catalog Number:
AG01DUWU
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
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Product Description
Catalog Number:
AG01DUWU
Chemical Name:
4H,5H,6H,7H,8H-cyclohepta[b]thiophen-5-one
CAS Number:
1017589-87-5
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD24711886
IUPAC Name:
4,6,7,8-tetrahydrocyclohepta[b]thiophen-5-one
InChI:
InChI=1S/C9H10OS/c10-8-2-1-3-9-7(6-8)4-5-11-9/h4-5H,1-3,6H2
InChI Key:
JHMCORBTLXPQHU-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(C1)ccs2
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties