Home Other Building Blocks 3-hydroxy-1lambda6-thiane-1,1-dione

3-hydroxy-1lambda6-thiane-1,1-dione

CAS No.:
94158-05-1
Catalog Number:
AG019YIS
Molecular Formula:
C5H10O3S
Molecular Weight:
150.1961
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Product Description
Catalog Number:
AG019YIS
Chemical Name:
3-hydroxy-1lambda6-thiane-1,1-dione
CAS Number:
94158-05-1
Molecular Formula:
C5H10O3S
Molecular Weight:
150.1961
MDL Number:
MFCD00764774
IUPAC Name:
1,1-dioxothian-3-ol
InChI:
InChI=1S/C5H10O3S/c6-5-2-1-3-9(7,8)4-5/h5-6H,1-4H2
InChI Key:
FOAYCGLGUDLVFQ-UHFFFAOYSA-N
SMILES:
OC1CCCS(=O)(=O)C1
EC Number:
303-075-0
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.035g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.192g/mol
Monoisotopic Mass:
150.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties