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164149-45-5 | 3-(furan-2-carbonyl)-1,3-thiazolidine-2-thione
CAS No: 164149-45-5 Catalog No: AG01B5SQ MDL No:MFCD11108880
Product Description
Catalog Number:
AG01B5SQ
Chemical Name:
3-(furan-2-carbonyl)-1,3-thiazolidine-2-thione
CAS Number:
164149-45-5
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
MDL Number:
MFCD11108880
IUPAC Name:
furan-2-yl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C8H7NO2S2/c10-7(6-2-1-4-11-6)9-3-5-13-8(9)12/h1-2,4H,3,5H2
InChI Key:
VMLQGPTXPHGMRC-UHFFFAOYSA-N
SMILES:
S=C1SCCN1C(=O)c1ccco1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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