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86704-82-7 | 3-Ethoxybenzenethiol , 98%
CAS No: 86704-82-7 Catalog No: AG003JDQ MDL No:MFCD03094660
Product Description
Catalog Number:
AG003JDQ
Chemical Name:
3-Ethoxybenzenethiol , 98%
CAS Number:
86704-82-7
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
MDL Number:
MFCD03094660
IUPAC Name:
3-ethoxybenzenethiol
InChI:
InChI=1S/C8H10OS/c1-2-9-7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
InChI Key:
RTJMJGJLVSKSEB-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)S
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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