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13220-80-9 | Acetic acid, 2-mercapto-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS No: 13220-80-9 Catalog No: AG0010E2 MDL No:
Product Description
Catalog Number:
AG0010E2
Chemical Name:
Acetic acid, 2-mercapto-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CAS Number:
13220-80-9
Molecular Formula:
C8H19NO5S
Molecular Weight:
241.3052
IUPAC Name:
2-sulfanylacetate;tris(2-hydroxyethyl)azanium
InChI:
InChI=1S/C6H15NO3.C2H4O2S/c8-4-1-7(2-5-9)3-6-10;3-2(4)1-5/h8-10H,1-6H2;5H,1H2,(H,3,4)
InChI Key:
ZSRUSYMBCCXANQ-UHFFFAOYSA-N
SMILES:
SCC(=O)O.OCCN(CCO)CCO
EC Number:
236-190-9
Properties
Complexity:
93.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
241.302g/mol
Monoisotopic Mass:
241.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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