S-(2-Cyanoethyl) Methanesulfonothioate - CAS 7651-64-1
Catalog: |
BB062598 |
Product Name: |
S-(2-Cyanoethyl) Methanesulfonothioate |
CAS: |
7651-64-1 |
Synonyms: |
3-(Methanesulfonylsulfanyl)propanenitrile; S-(2-Cyanoethyl) Ester Methanesulfonothioic Acid |
IUPAC Name: | 3-methylsulfonylsulfanylpropanenitrile |
Description: | S-(2-Cyanoethyl) Methanesulfonothioate is a compound involved in studies of thiosulfonates and their antimicrobial activity. |
Molecular Weight: | 165.23 |
Molecular Formula: | C4H7NO2S2 |
Canonical SMILES: | CS(=O)(=O)SCCC#N |
InChI: | InChI=1S/C4H7NO2S2/c1-9(6,7)8-4-2-3-5/h2,4H2,1H3 |
InChI Key: | QKYDNNUYKDDIFF-UHFFFAOYSA-N |
References: | Block, S.S., et al. Chem. Spec. Mfr. Ass., Proc. Annu. Meet., 56, 117-21 (1970). |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.99182081 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.99182081 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 91.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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