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77900-09-5 | Ethanimidothioic acid, N-(4-oxo-2-thioxo-3-thiazolidinyl)-, methyl ester
CAS No: 77900-09-5 Catalog No: AG005EI6 MDL No:
Product Description
Catalog Number:
AG005EI6
Chemical Name:
Ethanimidothioic acid, N-(4-oxo-2-thioxo-3-thiazolidinyl)-, methyl ester
CAS Number:
77900-09-5
Molecular Formula:
C6H8N2OS3
Molecular Weight:
220.3355
IUPAC Name:
methyl N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanimidothioate
InChI:
InChI=1S/C6H8N2OS3/c1-4(11-2)7-8-5(9)3-12-6(8)10/h3H2,1-2H3
InChI Key:
VVVOMQQZRRCUBG-UHFFFAOYSA-N
SMILES:
CSC(=NN1C(=S)SCC1=O)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.323g/mol
Monoisotopic Mass:
219.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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