Home Other Building Blocks 3,4-dihydro-1H-2-benzothiopyran-4-ol

3,4-dihydro-1H-2-benzothiopyran-4-ol

CAS No.:
109819-33-2
Catalog Number:
AG01A886
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
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Product Description
Catalog Number:
AG01A886
Chemical Name:
3,4-dihydro-1H-2-benzothiopyran-4-ol
CAS Number:
109819-33-2
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD02183485
IUPAC Name:
3,4-dihydro-1H-isothiochromen-4-ol
InChI:
InChI=1S/C9H10OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
InChI Key:
LMGWYNSDSPJQFX-UHFFFAOYSA-N
SMILES:
OC1CSCc2c1cccc2
NSC Number:
261560
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties