Home Carboxys Methyl 4-((ethoxycarbonothioyl)thio)-2,3-dihydro-1H-indene-2-carboxylate

Methyl 4-((ethoxycarbonothioyl)thio)-2,3-dihydro-1H-indene-2-carboxylate

CAS No.:
1881321-58-9
Catalog Number:
AG01D8R2
Molecular Formula:
C14H16O3S2
Molecular Weight:
296.4050
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Product Description
Catalog Number:
AG01D8R2
Chemical Name:
Methyl 4-((ethoxycarbonothioyl)thio)-2,3-dihydro-1H-indene-2-carboxylate
CAS Number:
1881321-58-9
Molecular Formula:
C14H16O3S2
Molecular Weight:
296.4050
MDL Number:
MFCD28975636
IUPAC Name:
methyl 4-ethoxycarbothioylsulfanyl-2,3-dihydro-1H-indene-2-carboxylate
InChI:
InChI=1S/C14H16O3S2/c1-3-17-14(18)19-12-6-4-5-9-7-10(8-11(9)12)13(15)16-2/h4-6,10H,3,7-8H2,1-2H3
InChI Key:
MIAUXXNXJINMDA-UHFFFAOYSA-N
SMILES:
CCOC(=S)Sc1cccc2c1CC(C2)C(=O)OC
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.054g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.399g/mol
Monoisotopic Mass:
296.054g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties