Home Aminos Ethyl 3-amino-3-thioxopropanoate

Ethyl 3-amino-3-thioxopropanoate

CAS No.:
13621-50-6
Catalog Number:
AG007148
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$105
- +
5g
98%
In Stock USA
United States
$304
- +
10g
98%
In Stock USA
United States
$550
- +
25g
98%
In Stock USA
United States
$1113
- +
Product Description
Catalog Number:
AG007148
Chemical Name:
Ethyl 3-amino-3-thioxopropanoate
CAS Number:
13621-50-6
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
MDL Number:
MFCD06245286
IUPAC Name:
ethyl 3-amino-3-sulfanylidenepropanoate
InChI:
InChI=1S/C5H9NO2S/c1-2-8-5(7)3-4(6)9/h2-3H2,1H3,(H2,6,9)
InChI Key:
IBHOWDPRDYMIMO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=S)N
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties