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1483-27-8 | Benzenethiol, 2,5-dimethoxy-
CAS No: 1483-27-8 Catalog No: AG001FL9 MDL No:MFCD00052738
Product Description
Catalog Number:
AG001FL9
Chemical Name:
Benzenethiol, 2,5-dimethoxy-
CAS Number:
1483-27-8
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00052738
IUPAC Name:
2,5-dimethoxybenzenethiol
InChI:
InChI=1S/C8H10O2S/c1-9-6-3-4-7(10-2)8(11)5-6/h3-5,11H,1-2H3
InChI Key:
SESUUAOAUZDHHP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)S)OC
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Photochemical generation and reactivity of the major hydroxyl radical adduct of thymidine. | Organic letters 20120601 |
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