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13031-76-0 | Thiophene-3-ol, tetrahydro-, 1,1-dioxide
CAS No: 13031-76-0 Catalog No: AG000UAC MDL No:MFCD00154867
Product Description
Catalog Number:
AG000UAC
Chemical Name:
Thiophene-3-ol, tetrahydro-, 1,1-dioxide
CAS Number:
13031-76-0
Molecular Formula:
C4H8O3S
Molecular Weight:
136.1695
MDL Number:
MFCD00154867
IUPAC Name:
1,1-dioxothiolan-3-ol
InChI:
InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2
InChI Key:
AMXKVIWWXBYXRS-UHFFFAOYSA-N
SMILES:
OC1CCS(=O)(=O)C1
NSC Number:
147314
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.019g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.165g/mol
Monoisotopic Mass:
136.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Determination of busulfan in human plasma using an ELISA format. | Therapeutic drug monitoring 20090801 |
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