3,4-Dimethoxybenzene-1-thiol
Properties
- Molecular formula
- C8H10O2S
- Molar mass
- 170.23 g/mol
- Exact mass
- 170.0402 Da
- logP
- 1.99Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin13% of notifiers
- H315 Causes skin irritation13% of notifiers
- H319 Causes serious eye irritation13% of notifiers
- H332 Harmful if inhaled13% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
700-96-9SMILES
COC1=C(C=C(C=C1)S)OCInChIKey
MTKAJLNGIVXZIS-UHFFFAOYSA-NInChI
InChI=1S/C8H10O2S/c1-9-7-4-3-6(11)5-8(7)10-2/h3-5,11H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3,4-Dimethoxythiophenol
Work with 3,4-Dimethoxybenzene-1-thiol
Similar compounds
1,2,4-Trimethoxybenzene135-77-354 % similar
3,4-Dimethoxytoluene494-99-552 % similar
3-Methoxybenzenethiol15570-12-450 % similar
3,4-Dimethoxyphenol2033-89-850 % similar
Bromoveratrole2859-78-150 % similar
4-Fluoro-1,2-dimethoxybenzene398-62-950 % similar
4-Iodo-1,2-dimethoxybenzene5460-32-250 % similar
3,4-Dimethoxyaniline6315-89-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.