4-Phenylcyclohexanethiol - CAS 1039320-23-4
Catalog: |
BB001263 |
Product Name: |
4-Phenylcyclohexanethiol |
CAS: |
1039320-23-4 |
Synonyms: |
4-phenyl-1-cyclohexanethiol; 4-phenylcyclohexane-1-thiol |
IUPAC Name: | 4-phenylcyclohexane-1-thiol |
Description: | 4-Phenylcyclohexanethiol (CAS# 1039320-23-4) is a useful synthetic intermediate. |
Molecular Weight: | 192.32 |
Molecular Formula: | C12H16S |
Canonical SMILES: | C1CC(CCC1C2=CC=CC=C2)S |
InChI: | InChI=1S/C12H16S/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2 |
InChI Key: | HSUGQRCMAWNUTK-UHFFFAOYSA-N |
LogP: | 3.64260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3323873-B9 | Liquid crystal composition and liquid crystal display device | 20150715 |
EP-3163368-B1 | Liquid crystal display element | 20140630 |
EP-3125033-B1 | Liquid crystal display device | 20140328 |
EP-3115437-B1 | Liquid crystal display device and liquid crystal composition | 20140307 |
EP-2933309-B1 | Liquid crystal composition and liquid crystal display device | 20121214 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.09727168 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.09727168 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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