Home Other Building Blocks 2-(p-Tolylthio)ethanol

2-(p-Tolylthio)ethanol

CAS No.:
13290-16-9
Catalog Number:
AG00AJ5K
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$100
- +
5g
99%
1 week
United States
$239
- +
25g
99%
1 week
United States
$656
- +
100g
99%
1 week
United States
$1837
- +
500g
99%
1 week
United States
$4198
- +
Product Description
Catalog Number:
AG00AJ5K
Chemical Name:
2-(p-Tolylthio)ethanol
CAS Number:
13290-16-9
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD00020613
IUPAC Name:
2-(4-methylphenyl)sulfanylethanol
InChI:
InChI=1S/C9H12OS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5,10H,6-7H2,1H3
InChI Key:
KYCQIPSCAOIEKN-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1)C
Properties
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/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  
Properties