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125605-97-2 | Butanedioic acid, 2-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-
CAS No: 125605-97-2 Catalog No: AG000NY0 MDL No:
Product Description
Catalog Number:
AG000NY0
Chemical Name:
Butanedioic acid, 2-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-
CAS Number:
125605-97-2
Molecular Formula:
C6H6N2O4S3
Molecular Weight:
266.3178
IUPAC Name:
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid
InChI:
InChI=1S/C6H6N2O4S3/c9-3(10)1-2(4(11)12)14-6-8-7-5(13)15-6/h2H,1H2,(H,7,13)(H,9,10)(H,11,12)
InChI Key:
YUMSRJNRCPVTBZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1n[nH]c(=S)s1)CC(=O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.949g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.304g/mol
Monoisotopic Mass:
265.949g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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