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17733-34-5

17733-34-5 | Phenol, 2-[3-(methylthio)propyl]-

CAS No: 17733-34-5 Catalog No: AG00259K MDL No:

Product Description

Catalog Number:
AG00259K
Chemical Name:
Phenol, 2-[3-(methylthio)propyl]-
CAS Number:
17733-34-5
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
2-(3-methylsulfanylpropyl)phenol
InChI:
InChI=1S/C10H14OS/c1-12-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3
InChI Key:
KOERLGDUHCSXBI-UHFFFAOYSA-N
SMILES:
CSCCCc1ccccc1O
NSC Number:
91172

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.077g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.281g/mol
Monoisotopic Mass:
182.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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