Home Other Building Blocks (3S,4R,5S)-thiane-2,3,4,5-tetrol

(3S,4R,5S)-thiane-2,3,4,5-tetrol

CAS No.:
2089580-30-1
Catalog Number:
AG01DW60
Molecular Formula:
C5H10O4S
Molecular Weight:
166.1955
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Product Description
Catalog Number:
AG01DW60
Chemical Name:
(3S,4R,5S)-thiane-2,3,4,5-tetrol
CAS Number:
2089580-30-1
Molecular Formula:
C5H10O4S
Molecular Weight:
166.1955
MDL Number:
MFCD30269786
IUPAC Name:
thiane-2,3,4,5-tetrol
InChI:
InChI=1S/C5H10O4S/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
InChI Key:
QWVJFKXOINHVGD-UHFFFAOYSA-N
SMILES:
O[C@@H]1CSC([C@H]([C@@H]1O)O)O
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
166.191g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Properties