Home Other Building Blocks Phenylthiocarbamic acid ethyl ester

Phenylthiocarbamic acid ethyl ester

CAS No.:
3111-89-5
Catalog Number:
AG00BWGN
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$310
- +
5g
1 week
United States
$1260
- +
10g
1 week
United States
$2116
- +
25g
1 week
United States
$4453
- +
Product Description
Catalog Number:
AG00BWGN
Chemical Name:
Phenylthiocarbamic acid ethyl ester
CAS Number:
3111-89-5
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD00022143
IUPAC Name:
O-ethyl N-phenylcarbamothioate
InChI:
InChI=1S/C9H11NOS/c1-2-11-9(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,12)
InChI Key:
WXNKKAIEQXMTBZ-UHFFFAOYSA-N
SMILES:
CCOC(=S)Nc1ccccc1
UNII:
QS3R8D3VJE
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties