Home Other Building Blocks 1,1-Dioxo-tetrahydro-thiopyran-4-one

1,1-Dioxo-tetrahydro-thiopyran-4-one

CAS No.:
17396-35-9
Catalog Number:
AG001ZC4
Molecular Formula:
C5H8O3S
Molecular Weight:
148.1802
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$63
- +
5g
98%
1 week
United States
$202
- +
Product Description
Catalog Number:
AG001ZC4
Chemical Name:
1,1-Dioxo-tetrahydro-thiopyran-4-one
CAS Number:
17396-35-9
Molecular Formula:
C5H8O3S
Molecular Weight:
148.1802
MDL Number:
MFCD00460698
IUPAC Name:
1,1-dioxothian-4-one
InChI:
InChI=1S/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2
InChI Key:
XFMQGQAAHOGFQS-UHFFFAOYSA-N
SMILES:
O=C1CCS(=O)(=O)CC1
NSC Number:
95668
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.019g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.176g/mol
Monoisotopic Mass:
148.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties