4-Isothiocyanato-1,2-dimethoxybenzene

C9H9NO2SCAS 33904-04-0195.24 g/mol

ONSO
EtherIsothiocyanate

Properties

Molecular formula
C9H9NO2S
Molar mass
195.24 g/mol
Exact mass
195.0354 Da
logP
2.44Crippen estimate
Polar surface area
30.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
33904-04-0
SMILES
COc1ccc(N=C=S)cc1OC
InChIKey
LHPZZVZPOZPDDB-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2S/c1-11-8-4-3-7(10-6-13)5-9(8)12-2/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Benzene, 4-isothiocyanato-1,2-dimethoxy-
  • 3,4-Dimethoxyphenyl isothiocyanate

Work with 4-Isothiocyanato-1,2-dimethoxybenzene

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere