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130369-73-2 | Ethanethioic acid, S,S'-[1-[(aminosulfonyl)methyl]-1,2-ethanediyl] ester (9CI)
CAS No: 130369-73-2 Catalog No: AG000UB8 MDL No:
Product Description
Catalog Number:
AG000UB8
Chemical Name:
Ethanethioic acid, S,S'-[1-[(aminosulfonyl)methyl]-1,2-ethanediyl] ester (9CI)
CAS Number:
130369-73-2
Molecular Formula:
C7H13NO4S3
Molecular Weight:
271.3774
IUPAC Name:
S-(2-acetylsulfanyl-3-sulfamoylpropyl) ethanethioate
InChI:
InChI=1S/C7H13NO4S3/c1-5(9)13-3-7(14-6(2)10)4-15(8,11)12/h7H,3-4H2,1-2H3,(H2,8,11,12)
InChI Key:
ADCWQVPHIAJQLW-UHFFFAOYSA-N
SMILES:
CC(=O)SCC(CS(=O)(=O)N)SC(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.364g/mol
Monoisotopic Mass:
271.001g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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