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76330-28-4 | Ethanimidothioic acid, N-(4-oxo-2-thioxo-3-thiazolidinyl)-, ethyl ester
CAS No: 76330-28-4 Catalog No: AG0056E1 MDL No:
Product Description
Catalog Number:
AG0056E1
Chemical Name:
Ethanimidothioic acid, N-(4-oxo-2-thioxo-3-thiazolidinyl)-, ethyl ester
CAS Number:
76330-28-4
Molecular Formula:
C7H10N2OS3
Molecular Weight:
234.3621
IUPAC Name:
ethyl N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanimidothioate
InChI:
InChI=1S/C7H10N2OS3/c1-3-12-5(2)8-9-6(10)4-13-7(9)11/h3-4H2,1-2H3
InChI Key:
MVSBZBDSMKZTEA-UHFFFAOYSA-N
SMILES:
CCSC(=NN1C(=S)SCC1=O)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.35g/mol
Monoisotopic Mass:
233.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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