Home Other Building Blocks Thiochroman-3-one

Thiochroman-3-one

CAS No.:
16895-58-2
Catalog Number:
AG001YE8
Molecular Formula:
C9H8OS
Molecular Weight:
164.2242
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$188
- +
1g
97%
In Stock USA
United States
$450
- +
5g
97%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG001YE8
Chemical Name:
Thiochroman-3-one
CAS Number:
16895-58-2
Molecular Formula:
C9H8OS
Molecular Weight:
164.2242
MDL Number:
MFCD08437618
IUPAC Name:
4H-thiochromen-3-one
InChI:
InChI=1S/C9H8OS/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2
InChI Key:
KLYMTKVJYHTFIA-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(C1)cccc2
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.222g/mol
Monoisotopic Mass:
164.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties