2-(Propylthio)nicotinic acid
Properties
- Molecular formula
- C9H11NO2S
- Molar mass
- 197.25 g/mol
- Exact mass
- 197.0510 Da
- logP
- 2.28Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
175135-22-5SMILES
CCCSC1=C(C=CC=N1)C(=O)OInChIKey
CSMDLVRDBYKTAH-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h3-5H,2,6H2,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-(N-Propylthio)nicotinic acid
Work with 2-(Propylthio)nicotinic acid
Similar compounds
2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid112811-90-263 % similar
2-(Methylthio)nicotinic acid74470-23-863 % similar
2-(Phenylthio)-3-pyridinecarboxylic acid35620-72-556 % similar
2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-653 % similar
2-Methylnicotinic acid3222-56-851 % similar
2-Acetyl-3-pyridinecarboxylic acid89942-59-651 % similar
2-Ethoxynicotinic acid35969-54-151 % similar
Quinolinic acid339155-13-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds