Basic information
- CAS
19689-66-8- Standard SMILES
COc1cc(S)cc(OC)c1- InChIKey
XGZPXJQXMHEIIJ-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Names & identifiers
- Preferred name
- 3,5-Dimethoxybenzenethiol
- IUPAC
- 3,5-dimethoxybenzenethiol
- English name
- 3,5-Dimethoxythiophenol
- Molecular formula
- C8H10O2S
- Molecular weight
- 170.23
Names & synonyms
3,5-dimethoxybenzenethiol19689-66-83,5-Dimethoxythiophenol3,5-dimethoxybenzene-1-thiolMFCD00085026Benzenethiol, 3,5-dimethoxy-SCHEMBL388334SCHEMBL1402759SCHEMBL9444407XGZPXJQXMHEIIJ-UHFFFAOYSA-NAKOS006274391CS-0302556
Show more names
3,4-DIMETHOXYTHIOPHENOL, 99+%
EN300-673739F038588
Database identifiers
- CAS
19689-66-8- PubChem CID
- 4713145
- EC Number
- 184-196-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 19.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 269.88 °C · 269.88°C (rough estimate)
- Density
- 1.19 · 1.1900
- refractive index
- 1.509 · 1.5090 (estimate)
- pka
- 6.14 · 6.14±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 3 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Applications
Uses3,5-Dimethoxythiophenol is used in the synthesis of arylthioindoles as potent inhibitors of tubulin polymerization.
Suppliers7 total
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
4 records
Compound notes
Loading…