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13095-66-4 | Butanoic acid, 4-mercapto-, ion(1-)
CAS No: 13095-66-4 Catalog No: AG000V5T MDL No:
Product Description
Catalog Number:
AG000V5T
Chemical Name:
Butanoic acid, 4-mercapto-, ion(1-)
CAS Number:
13095-66-4
Molecular Formula:
C4H7O2S-
Molecular Weight:
119.1622
IUPAC Name:
4-sulfanylbutanoate
InChI:
InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)/p-1
InChI Key:
DTRIDVOOPAQEEL-UHFFFAOYSA-M
SMILES:
SCCCC(=O)[O-]
Properties
Complexity:
57.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.017g/mol
Formal Charge:
-1
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.158g/mol
Monoisotopic Mass:
119.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Novel precursor substrates for polythioesters (PTE) and limits of PTE biosynthesis in Ralstonia eutropha. | FEMS microbiology letters 20030425 |
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