2-Thiophenemethanol - CAS 636-72-6
Catalog: |
BB032234 |
Product Name: |
2-Thiophenemethanol |
CAS: |
636-72-6 |
Synonyms: |
thiophen-2-ylmethanol |
IUPAC Name: | thiophen-2-ylmethanol |
Description: | 2-Thiophenemethanol (CAS# 636-72-6) is a heterocyclic building block used in pharmaceutical and organic synthesis. It is a component of the synthesis of styrylheterocycle analogs of reservatrol which act as apoptosis-inducing agents. Also used in the preparation of diverse 2-aminothiophenes displaying biologically active antiproliferative activity. |
Molecular Weight: | 114.17 |
Molecular Formula: | C5H6OS |
Canonical SMILES: | C1=CSC(=C1)CO |
InChI: | InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 |
InChI Key: | ZPHGMBGIFODUMF-UHFFFAOYSA-N |
Boiling Point: | 207 °C / 760 mmHg |
Density: | 0.908 g/cm3 |
Solubility: | 6.158e+004 mg/L at 25 °C (est) |
Appearance: | Clear light yellow liquid |
Storage: | Keep in dark place. Inert atmosphere. Keep cold. |
MDL: | MFCD00005454 |
LogP: | 1.24040 |
Vapor Pressure: | 0.02 [mmHg] |
GHS Hazard Statement: | H302 (98.88%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22951957 | 20121015 | Synthesis, optical properties, and electronic structures of fully core-modified porphyrin dications and isophlorins | Chemistry (Weinheim an der Bergstrasse, Germany) |
22162281 | 20120109 | Gold nanoparticles incarcerated in nanoporous syndiotactic polystyrene matrices as new and efficient catalysts for alcohol oxidations | Chemistry (Weinheim an der Bergstrasse, Germany) |
21594240 | 20110628 | Facile preparation of SERS-active nanogap-rich Au nanoleaves | Chemical communications (Cambridge, England) |
20578754 | 20100720 | Decomposition of methanthiol on Pt(111): a density functional investigation | Langmuir : the ACS journal of surfaces and colloids |
17319735 | 20070305 | Controlled synthesis of a structurally characterized family of sterically constrained heterocyclic alkoxy-modified titanium alkoxides | Inorganic chemistry |
Complexity: | 56 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.01393598 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.01393598 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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