Home Other Building Blocks Benzoic acid, 4-(ethylthio)-

Benzoic acid, 4-(ethylthio)-

CAS No.:
13205-49-7
Catalog Number:
AG00104B
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
In Stock USA
United States
$241
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Product Description
Catalog Number:
AG00104B
Chemical Name:
Benzoic acid, 4-(ethylthio)-
CAS Number:
13205-49-7
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD00002556
IUPAC Name:
4-ethylsulfanylbenzoic acid
InChI:
InChI=1S/C9H10O2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key:
LDYCQBKCUOVGDA-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)C(=O)O
EC Number:
236-172-0
NSC Number:
138415
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties