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88661-27-2 | Phenol, 4-ethyl-2-mercapto-
CAS No: 88661-27-2 Catalog No: AG0048I2 MDL No:
Product Description
Catalog Number:
AG0048I2
Chemical Name:
Phenol, 4-ethyl-2-mercapto-
CAS Number:
88661-27-2
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
IUPAC Name:
4-ethyl-2-sulfanylphenol
InChI:
InChI=1S/C8H10OS/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChI Key:
UIKWHZMPLNYNHF-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)S)O
Properties
Complexity:
105
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:
2
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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