Home Other Building Blocks propan-2-yl 2-carbamothioylacetate

propan-2-yl 2-carbamothioylacetate

CAS No.:
926211-46-3
Catalog Number:
AG019MTG
Molecular Formula:
C6H11NO2S
Molecular Weight:
161.2220
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Product Description
Catalog Number:
AG019MTG
Chemical Name:
propan-2-yl 2-carbamothioylacetate
CAS Number:
926211-46-3
Molecular Formula:
C6H11NO2S
Molecular Weight:
161.2220
MDL Number:
MFCD09046723
IUPAC Name:
propan-2-yl 3-amino-3-sulfanylidenepropanoate
InChI:
InChI=1S/C6H11NO2S/c1-4(2)9-6(8)3-5(7)10/h4H,3H2,1-2H3,(H2,7,10)
InChI Key:
UQUXDPDNKFPACW-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CC(=S)N)C
Properties
Complexity:
145  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties