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89570-04-7 | 1,2,4-Dithiazolidin-3-one, 4-ethyl-5-thioxo-
CAS No: 89570-04-7 Catalog No: AG003XXW MDL No:
Product Description
Catalog Number:
AG003XXW
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-ethyl-5-thioxo-
CAS Number:
89570-04-7
Molecular Formula:
C4H5NOS3
Molecular Weight:
179.2836
IUPAC Name:
4-ethyl-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C4H5NOS3/c1-2-5-3(6)8-9-4(5)7/h2H2,1H3
InChI Key:
CCLNGSHTZXWLAK-UHFFFAOYSA-N
SMILES:
CCn1c(=O)ssc1=S
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.953g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.27g/mol
Monoisotopic Mass:
178.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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