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247228-28-0 | 1,4-Benzodioxin-6-thiol, 2,3-dihydro-
CAS No: 247228-28-0 Catalog No: AG002P7R MDL No:MFCD06201753
Product Description
Catalog Number:
AG002P7R
Chemical Name:
1,4-Benzodioxin-6-thiol, 2,3-dihydro-
CAS Number:
247228-28-0
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD06201753
IUPAC Name:
2,3-dihydro-1,4-benzodioxine-6-thiol
InChI:
InChI=1S/C8H8O2S/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-2,5,11H,3-4H2
InChI Key:
AJTXRGFHGWXIOZ-UHFFFAOYSA-N
SMILES:
Sc1ccc2c(c1)OCCO2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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