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Home Other Building Blocks 4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide

4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide

CAS No.:
1639350-77-8
Catalog Number:
AG00HZ2G
Molecular Formula:
C8H11N3O4S
Molecular Weight:
245.2556
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00HZ2G
Chemical Name:
4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
CAS Number:
1639350-77-8
Molecular Formula:
C8H11N3O4S
Molecular Weight:
245.2556
MDL Number:
MFCD29059800
IUPAC Name:
4-(4-nitropyrazol-1-yl)thiane 1,1-dioxide
InChI:
InChI=1S/C8H11N3O4S/c12-11(13)8-5-9-10(6-8)7-1-3-16(14,15)4-2-7/h5-7H,1-4H2
InChI Key:
WHPNXSNFKAVLJP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)C1CCS(=O)(=O)CC1
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.253g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties