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699-12-7 | 2-(Phenylthio)ethanol
CAS No: 699-12-7 Catalog No: AG003F44 MDL No:MFCD00002905
Product Description
Catalog Number:
AG003F44
Chemical Name:
2-(Phenylthio)ethanol
CAS Number:
699-12-7
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
MDL Number:
MFCD00002905
IUPAC Name:
2-phenylsulfanylethanol
InChI:
InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
KWWZHCSQVRVQGF-UHFFFAOYSA-N
SMILES:
OCCSc1ccccc1
EC Number:
211-828-9
UNII:
9WA374O44P
NSC Number:
57851
Properties
Complexity:
79.3
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:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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