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5244-34-8 | 3,6-Dithia-1,8-octanediol
CAS No: 5244-34-8 Catalog No: AG0032KB MDL No:MFCD00002911
Product Description
Catalog Number:
AG0032KB
Chemical Name:
3,6-Dithia-1,8-octanediol
CAS Number:
5244-34-8
Molecular Formula:
C6H14O2S2
Molecular Weight:
182.3042
MDL Number:
MFCD00002911
IUPAC Name:
2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol
InChI:
InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI Key:
PDHFSBXFZGYBIP-UHFFFAOYSA-N
SMILES:
OCCSCCSCCO
EC Number:
226-045-8
UNII:
KBC80263G6
Properties
Complexity:
53.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.296g/mol
Monoisotopic Mass:
182.044g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Screening hydrolysis products of sulfur mustard agents by high-performance liquid chromatography with inductively coupled plasma mass spectrometry detection. | Analytical and bioanalytical chemistry 20090401 |
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