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29236-93-9 | Benzenethiol, 2,5-diethoxy-
CAS No: 29236-93-9 Catalog No: AG002XSR MDL No:MFCD03094659
Product Description
Catalog Number:
AG002XSR
Chemical Name:
Benzenethiol, 2,5-diethoxy-
CAS Number:
29236-93-9
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
MDL Number:
MFCD03094659
IUPAC Name:
2,5-diethoxybenzenethiol
InChI:
InChI=1S/C10H14O2S/c1-3-11-8-5-6-9(12-4-2)10(13)7-8/h5-7,13H,3-4H2,1-2H3
InChI Key:
JUAWFBZRMQIAID-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)S)OCC
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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