Home Other Building Blocks [(1, 1-Dioxotetrahydro-2H...

[(1, 1-Dioxotetrahydro-2H...

CAS No.:
476660-77-2
Catalog Number:
AG00DCYV
Molecular Formula:
C6H13NO2S
Molecular Weight:
163.2379
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Product Description
Catalog Number:
AG00DCYV
Chemical Name:
[(1, 1-Dioxotetrahydro-2H...
CAS Number:
476660-77-2
Molecular Formula:
C6H13NO2S
Molecular Weight:
163.2379
MDL Number:
MFCD09864365
IUPAC Name:
(1,1-dioxothian-4-yl)methanamine
InChI:
InChI=1S/C6H13NO2S/c7-5-6-1-3-10(8,9)4-2-6/h6H,1-5,7H2
InChI Key:
PYWSWTFWUWSPKT-UHFFFAOYSA-N
SMILES:
NCC1CCS(=O)(=O)CC1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.067g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.235g/mol
Monoisotopic Mass:
163.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties