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18365-80-5 | Propanoic acid, 3-[[(2-carboxyethyl)sulfonyl]thio]- (9CI)
CAS No: 18365-80-5 Catalog No: AG0027SI MDL No:
Product Description
Catalog Number:
AG0027SI
Chemical Name:
Propanoic acid, 3-[[(2-carboxyethyl)sulfonyl]thio]- (9CI)
CAS Number:
18365-80-5
Molecular Formula:
C6H10O6S2
Molecular Weight:
242.2700
IUPAC Name:
3-(2-carboxyethylsulfonylsulfanyl)propanoic acid
InChI:
InChI=1S/C6H10O6S2/c7-5(8)1-3-13-14(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI Key:
XVDZVKRQJUGRNX-UHFFFAOYSA-N
SMILES:
OC(=O)CCSS(=O)(=O)CCC(=O)O
NSC Number:
54086
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.26g/mol
Monoisotopic Mass:
241.992g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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