4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide - CAS 302581-36-8
Catalog: |
BB020506 |
Product Name: |
4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide |
CAS: |
302581-36-8 |
Synonyms: |
4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol |
IUPAC Name: | 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol |
Description: | 4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide (CAS# 302581-36-8) is a useful research chemical. |
Molecular Weight: | 195.24 |
Molecular Formula: | C6H13NO4S |
Canonical SMILES: | C1C(C(CS1(=O)=O)O)NCCO |
InChI: | InChI=1S/C6H13NO4S/c8-2-1-7-5-3-12(10,11)4-6(5)9/h5-9H,1-4H2 |
InChI Key: | NAEPTSKEUROVQX-UHFFFAOYSA-N |
Boiling Point: | 531.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.46 g/cm3 |
MDL: | MFCD00456574 |
LogP: | -0.80210 |
Publication Number | Title | Priority Date |
US-2015364311-A1 | Compositions and methods for mass spectometry | 20140613 |
US-9870909-B2 | Compositions and methods for mass spectometry | 20140613 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05652907 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.3 |
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