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77900-10-8 | Propanimidothioic acid, N-(4-oxo-2-thioxo-3-thiazolidinyl)-, methyl ester
CAS No: 77900-10-8 Catalog No: AG005QNK MDL No:
Product Description
Catalog Number:
AG005QNK
Chemical Name:
Propanimidothioic acid, N-(4-oxo-2-thioxo-3-thiazolidinyl)-, methyl ester
CAS Number:
77900-10-8
Molecular Formula:
C7H10N2OS3
Molecular Weight:
234.3621
IUPAC Name:
methyl N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanimidothioate
InChI:
InChI=1S/C7H10N2OS3/c1-3-5(12-2)8-9-6(10)4-13-7(9)11/h3-4H2,1-2H3
InChI Key:
GYDOFAUZQCNOOK-UHFFFAOYSA-N
SMILES:
CCC(=NN1C(=S)SCC1=O)SC
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:
2.2
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