Home Other Building Blocks (4-Aminophenylthio)acetic acid

(4-Aminophenylthio)acetic acid

CAS No.:
104-18-7
Catalog Number:
AG003EUQ
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$136
- +
10g
97%
In Stock USA
United States
$229
- +
Product Description
Catalog Number:
AG003EUQ
Chemical Name:
(4-Aminophenylthio)acetic acid
CAS Number:
104-18-7
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD00025360
IUPAC Name:
2-(4-aminophenyl)sulfanylacetic acid
InChI:
InChI=1S/C8H9NO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChI Key:
CTPIHHXCACYCIV-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccc(cc1)N
EC Number:
203-182-1
NSC Number:
43555
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties