Home Sulfos Tetrahydro-2h-thiopyran-4-yl 4-methylbenzenesulfonate

Tetrahydro-2h-thiopyran-4-yl 4-methylbenzenesulfonate

CAS No.:
27999-97-9
Catalog Number:
AG00I59K
Molecular Formula:
C12H16O3S2
Molecular Weight:
272.3836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00I59K
Chemical Name:
Tetrahydro-2h-thiopyran-4-yl 4-methylbenzenesulfonate
CAS Number:
27999-97-9
Molecular Formula:
C12H16O3S2
Molecular Weight:
272.3836
MDL Number:
MFCD23143174
IUPAC Name:
thian-4-yl 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H16O3S2/c1-10-2-4-12(5-3-10)17(13,14)15-11-6-8-16-9-7-11/h2-5,11H,6-9H2,1H3
InChI Key:
GDJWDLUJZROSRN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC1CCSCC1
NSC Number:
112808
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.054g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.377g/mol
Monoisotopic Mass:
272.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties