Home Other Building Blocks ethyl 2-carbamothioyl-2-methylacetate

ethyl 2-carbamothioyl-2-methylacetate

CAS No.:
17503-31-0
Catalog Number:
AG01A3ZW
Molecular Formula:
C6H11NO2S
Molecular Weight:
161.2220
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Product Description
Catalog Number:
AG01A3ZW
Chemical Name:
ethyl 2-carbamothioyl-2-methylacetate
CAS Number:
17503-31-0
Molecular Formula:
C6H11NO2S
Molecular Weight:
161.2220
MDL Number:
MFCD20694180
IUPAC Name:
ethyl 3-amino-2-methyl-3-sulfanylidenepropanoate
InChI:
InChI=1S/C6H11NO2S/c1-3-9-6(8)4(2)5(7)10/h4H,3H2,1-2H3,(H2,7,10)
InChI Key:
LSQDXOUJTRKJEX-UHFFFAOYSA-N
SMILES:
CC(C(=S)N)C(=O)OCC
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.051g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.219g/mol
Monoisotopic Mass:
161.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties