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769958-91-0 | Benzenesulfonic acid, 4-[(2,4-dithioxo-5-thiazolidinylidene)methyl]-
CAS No: 769958-91-0 Catalog No: AG005784 MDL No:
Product Description
Catalog Number:
AG005784
Chemical Name:
Benzenesulfonic acid, 4-[(2,4-dithioxo-5-thiazolidinylidene)methyl]-
CAS Number:
769958-91-0
Molecular Formula:
C10H7NO3S4
Molecular Weight:
317.4275
IUPAC Name:
4-[[2,4-bis(sulfanylidene)-1,3-thiazolidin-5-ylidene]methyl]benzenesulfonic acid
InChI:
InChI=1S/C10H7NO3S4/c12-18(13,14)7-3-1-6(2-4-7)5-8-9(15)11-10(16)17-8/h1-5H,(H,11,15,16)(H,12,13,14)
InChI Key:
LLOWFRSTDOKIQT-UHFFFAOYSA-N
SMILES:
S=C1NC(=S)SC1=Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.931g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.41g/mol
Monoisotopic Mass:
316.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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