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13208-82-7 | 4,11-Dithia-6,9-diazatetradecanedioic acid, 5,10-dithioxo-
CAS No: 13208-82-7 Catalog No: AG00106B MDL No:
Product Description
Catalog Number:
AG00106B
Chemical Name:
4,11-Dithia-6,9-diazatetradecanedioic acid, 5,10-dithioxo-
CAS Number:
13208-82-7
Molecular Formula:
C10H16N2O4S4
Molecular Weight:
356.5050
IUPAC Name:
3-[2-(2-carboxyethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]propanoic acid
InChI:
InChI=1S/C10H16N2O4S4/c13-7(14)1-5-19-9(17)11-3-4-12-10(18)20-6-2-8(15)16/h1-6H2,(H,11,17)(H,12,18)(H,13,14)(H,15,16)
InChI Key:
XZDBWFBHEORTNG-UHFFFAOYSA-N
SMILES:
S=C(SCCC(=O)O)NCCNC(=S)SCCC(=O)O
UNII:
I1KAJ4E90N
NSC Number:
14522
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.999g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
356.488g/mol
Monoisotopic Mass:
355.999g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
213A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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