1,3-Benzenedimethanethiol - CAS 41563-69-3
Catalog: |
BB024906 |
Product Name: |
1,3-Benzenedimethanethiol |
CAS: |
41563-69-3 |
Synonyms: |
[3-(sulfanylmethyl)phenyl]methanethiol |
IUPAC Name: | [3-(sulfanylmethyl)phenyl]methanethiol |
Description: | 1,3-Benzenedimethanethiol (CAS# 41563-69-3) is a useful research chemical compound. |
Molecular Weight: | 170.30 |
Molecular Formula: | C8H10S2 |
Canonical SMILES: | C1=CC(=CC(=C1)CS)CS |
InChI: | InChI=1S/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2 |
InChI Key: | JSNABGZJVWSNOB-UHFFFAOYSA-N |
Boiling Point: | 168 °C (25 torr) |
Density: | 1.15 g/cm3 |
MDL: | MFCD00012311 |
LogP: | 2.54620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021080483-A | Complex | 20210304 |
CN-112500552-A | Polyisocyanate composition and polyurethane optical resin | 20201210 |
CN-112661930-A | Xylylene diisocyanate composition and optical resin | 20201127 |
JP-2021006632-A | Adhesives and adhesive sheets and how to use them | 20200911 |
JP-6879414-B1 | Adhesives and adhesive sheets | 20200630 |
PMID | Publication Date | Title | Journal |
20199099 | 20100518 | Self-assembly of 1,4-benzenedimethanethiol self-assembled monolayers on gold | Langmuir : the ACS journal of surfaces and colloids |
20353244 | 20090201 | A highly selective, biofunctional surface for molecule/cell sorting | ACS applied materials & interfaces |
18668492 | 20080825 | Adsorption of 1,3-benzenedithiol and 1,3-benzenedimethanethiol on gold surfaces | Chemphyschem : a European journal of chemical physics and physical chemistry |
18397098 | 20080407 | Adsorption geometry variation of 1,4-benzenedimethanethiol self-assembled monolayers on Au(111) grown from the vapor phase | The Journal of chemical physics |
16836258 | 20060301 | Electrocatalysis of oxygen at hemoglobin-Au colloid-1,4-benzenedimethanethiol modified electrode | Annali di chimica |
Complexity: | 83.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.02239267 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.02239267 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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