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114315-36-5 | Acetic acid, 2,2'-[2,6-pyridinediylbis(methylenethio)]bis- (9CI)
CAS No: 114315-36-5 Catalog No: AG000B36 MDL No:
Product Description
Catalog Number:
AG000B36
Chemical Name:
Acetic acid, 2,2'-[2,6-pyridinediylbis(methylenethio)]bis- (9CI)
CAS Number:
114315-36-5
Molecular Formula:
C11H13NO4S2
Molecular Weight:
287.3552
IUPAC Name:
2-[[6-(carboxymethylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]acetic acid
InChI:
InChI=1S/C11H13NO4S2/c13-10(14)6-17-4-8-2-1-3-9(12-8)5-18-7-11(15)16/h1-3H,4-7H2,(H,13,14)(H,15,16)
InChI Key:
HMFULRCZRWZZHP-UHFFFAOYSA-N
SMILES:
OC(=O)CSCc1cccc(n1)CSCC(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.348g/mol
Monoisotopic Mass:
287.029g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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