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144024-79-3 | Acetic acid, 2-[[[(2,5-disulfophenyl)amino]thioxomethyl]thio]-
CAS No: 144024-79-3 Catalog No: AG001IT0 MDL No:
Product Description
Catalog Number:
AG001IT0
Chemical Name:
Acetic acid, 2-[[[(2,5-disulfophenyl)amino]thioxomethyl]thio]-
CAS Number:
144024-79-3
Molecular Formula:
C9H9NO8S4
Molecular Weight:
387.4297
IUPAC Name:
2-[(2,5-disulfophenyl)carbamothioylsulfanyl]acetic acid
InChI:
InChI=1S/C9H9NO8S4/c11-8(12)4-20-9(19)10-6-3-5(21(13,14)15)1-2-7(6)22(16,17)18/h1-3H,4H2,(H,10,19)(H,11,12)(H,13,14,15)(H,16,17,18)
InChI Key:
OILZOQJYJCHORK-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(=S)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.921g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
387.41g/mol
Monoisotopic Mass:
386.921g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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