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147086-80-4 | 4H-Thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, (4R-cis)- (9CI)
CAS No: 147086-80-4 Catalog No: AG001ELE MDL No:MFCD23704952
Product Description
Catalog Number:
AG001ELE
Chemical Name:
4H-Thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, (4R-cis)- (9CI)
CAS Number:
147086-80-4
Molecular Formula:
C8H10OS2
Molecular Weight:
186.2944
MDL Number:
MFCD23704952
IUPAC Name:
(4R,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
InChI:
InChI=1S/C8H10OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5,7,9H,4H2,1H3/t5-,7+/m0/s1
InChI Key:
RSJUYFIZTAZAEA-CAHLUQPWSA-N
SMILES:
C[C@H]1C[C@@H](O)c2c(S1)scc2
EC Number:
604-557-6
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
186.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.287g/mol
Monoisotopic Mass:
186.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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