2-(2-thienyl)ethyl benzenesulphonate

1. Names and Identifiers

1.2 Synonyms: 2-(2-THIENYL)ETHYL BENZENESULFONATE; 2-(2-thienyl)ethylbenzenesulfonate; 2-(2-thienyl)ethylbenzenesulphonate; 2-(Thiophen-2-yl)ethyl benzenesulfonate; 287-765-6; 2-thiophen-2-ylethyl benzenesulfonate; 2-Thiopheneethanol benzenesulfonate; 2-Thiopheneethanol, 2-benzenesulfonate; 2-Thiopheneethanol, benzenesulfonate; 2-Thiopheneethanol,2-benzenesulfonate; CTK5F5247; DTXSID90234776; Einecs 287-765-6; NS00038985; W-111661; ZINC38643119;

1.7 Inchi: InChI=1S/C12H12O3S2/c13-17(14,12-6-2-1-3-7-12)15-9-8-11-5-4-10-16-11/h1-7,10H,8-9H2

2. MSDS

Acute toxicity - Oral, Category 4

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

none

3. Computed Properties

Molecular Weight：268.35188g/mol
Molecular Formula：C₁₂H₁₂O₃S₂
Compound Is Canonicalized：True
Exact Mass：2.9
XLogP3-AA：268.02278659
Monoisotopic Mass：268.02278659
Complexity：315
Rotatable Bond Count：5
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：80
Heavy Atom Count：：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMABgAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAGgQAAAAACACk0AKwAYAAAAqEACBCAHBDAMAgCBBIiBgAAIgIICKgERCAIAAkwAEoiAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Tel: Update Time:2024/06/17

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5. Realated Product Infomation

1. Names and Identifiers