3-Chloropropyl thiolacetate - CAS 13012-54-9
Catalog: |
BB007050 |
Product Name: |
3-Chloropropyl thiolacetate |
CAS: |
13012-54-9 |
Synonyms: |
S-(3-chloropropyl) ethanethioate |
IUPAC Name: | S-(3-chloropropyl) ethanethioate |
Description: | 3-Chloropropyl thiolacetate (CAS# 13012-54-9) is a useful research chemical. |
Molecular Weight: | 152.64 |
Molecular Formula: | C5H9ClOS |
Canonical SMILES: | CC(=O)SCCCCl |
InChI: | InChI=1S/C5H9ClOS/c1-5(7)8-4-2-3-6/h2-4H2,1H3 |
InChI Key: | IOLUCUQNAZTKMN-UHFFFAOYSA-N |
Boiling Point: | 83-84 ℃10 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.159 g/mL at 25 ℃ (lit.) |
MDL: | MFCD00001002 |
LogP: | 1.89500 |
Publication Number | Title | Priority Date |
DE-60309742-T2 | Continuous detection of an analyte with a trifunctional reaction detergent | 20021128 |
EP-1567865-A1 | Method for continuous detection of an analyte, trifunctional detecting reagent used and detecting device | 20021128 |
EP-1567865-B1 | Method for continuous detection of an analyte, trifunctional detecting reagent used and detecting device | 20021128 |
FR-2847984-A1 | METHOD FOR CONTINUOUS DETECTION OF ANALYTE, SENSING TRIFUNCTIONAL REAGENT USED AND DETECTION DEVICE | 20021128 |
JP-2006508357-A | Method for continuous detection of analyte, trifunctional detection reagent and detection device used | 20021128 |
Complexity: | 74.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.0062638 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.0062638 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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