Home Other Building Blocks Thian-3-one

Thian-3-one

CAS No.:
19090-03-0
Catalog Number:
AG002EWY
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG002EWY
Chemical Name:
Thian-3-one
CAS Number:
19090-03-0
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
MDL Number:
MFCD00040796
IUPAC Name:
thian-3-one
InChI:
InChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-4H2
InChI Key:
ATAMXDLUUTYFKT-UHFFFAOYSA-N
SMILES:
O=C1CCCSC1
Properties
Complexity:
80.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties