Home Other Building Blocks ETHYL 2-[(ETHOXYCARBONYL)THIO]ACETATE

ETHYL 2-[(ETHOXYCARBONYL)THIO]ACETATE

CAS No.:
52790-15-5
Catalog Number:
AG00D9OR
Molecular Formula:
C7H12O4S
Molecular Weight:
192.2328
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Product Description
Catalog Number:
AG00D9OR
Chemical Name:
ETHYL 2-[(ETHOXYCARBONYL)THIO]ACETATE
CAS Number:
52790-15-5
Molecular Formula:
C7H12O4S
Molecular Weight:
192.2328
MDL Number:
MFCD00662532
IUPAC Name:
ethyl 2-ethoxycarbonylsulfanylacetate
InChI:
InChI=1S/C7H12O4S/c1-3-10-6(8)5-12-7(9)11-4-2/h3-5H2,1-2H3
InChI Key:
YZAKTJAACUTISQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)SCC(=O)OCC
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.229g/mol
Monoisotopic Mass:
192.046g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties