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183550-06-3 | 2,3-Thiophenediol, 2,3-dihydro-4-methyl-, (2R,3R)-rel-
CAS No: 183550-06-3 Catalog No: AG0027O4 MDL No:
Product Description
Catalog Number:
AG0027O4
Chemical Name:
2,3-Thiophenediol, 2,3-dihydro-4-methyl-, (2R,3R)-rel-
CAS Number:
183550-06-3
Molecular Formula:
C5H8O2S
Molecular Weight:
132.1808
IUPAC Name:
(2R,3R)-4-methyl-2,3-dihydrothiophene-2,3-diol
InChI:
InChI=1S/C5H8O2S/c1-3-2-8-5(7)4(3)6/h2,4-7H,1H3/t4-,5-/m1/s1
InChI Key:
BNWUKBAATIDFNJ-RFZPGFLSSA-N
SMILES:
CC1=CS[C@H]([C@@H]1O)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
132.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.177g/mol
Monoisotopic Mass:
132.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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