Home Other Building Blocks potassium 4-(5-sulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl)benzoate

potassium 4-(5-sulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl)benzoate

CAS No.:
1011405-13-2
Catalog Number:
AG019IDZ
Molecular Formula:
C9H5KN2O2S3
Molecular Weight:
308.4415
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Product Description
Catalog Number:
AG019IDZ
Chemical Name:
potassium 4-(5-sulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-yl)benzoate
CAS Number:
1011405-13-2
Molecular Formula:
C9H5KN2O2S3
Molecular Weight:
308.4415
MDL Number:
MFCD26143587
IUPAC Name:
potassium;4-[2,5-bis(sulfanylidene)-1,3,4-thiadiazolidin-3-yl]benzoate
InChI:
InChI=1S/C9H6N2O2S3.K/c12-7(13)5-1-3-6(4-2-5)11-9(15)16-8(14)10-11;/h1-4H,(H,10,14)(H,12,13);/q;+1/p-1
InChI Key:
GCRKLXMRVUNNLF-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccc(cc1)n1nc(sc1=S)S.[K+]
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.915g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.429g/mol
Monoisotopic Mass:
307.915g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties