Netobimin
Properties
- Molecular formula
- C14H20N4O7S2
- Molar mass
- 420.46 g/mol
- Exact mass
- 420.0773 Da
- logP
- 2.31Crippen estimate
- Polar surface area
- 163.7 Ų
- H-bond donors / acceptors
- 3 / 7
- Rotatable bonds
- 8
Hazards
Danger
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled100% of notifiers
- H361 Suspected of damaging fertility or the unborn child100% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P264+P265, P270, P271, P280, P284, P304+P340, P305+P351+P338, P316, P318, P319, P320, P337+P317, P403+P233, P405, P501
Identifiers
CAS number
88255-01-0SMILES
CCCSc1ccc([N+](=O)[O-])c(NC(=NCCS(=O)(=O)O)N=C(O)OC)c1InChIKey
WCBVUETZRWGIJQ-UHFFFAOYSA-NInChI
InChI=1S/C14H20N4O7S2/c1-3-7-26-10-4-5-12(18(20)21)11(9-10)16-13(17-14(19)25-2)15-6-8-27(22,23)24/h4-5,9H,3,6-8H2,1-2H3,(H,22,23,24)(H2,15,16,17,19)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Ethanesulfonic acid, 2-[[[(methoxycarbonyl)amino][[2-nitro-5-(propylthio)phenyl]amino]methylene]amino]-
- 2-[[[(Methoxycarbonyl)amino][[2-nitro-5-(propylthio)phenyl]amino]methylene]amino]ethanesulfonic acid
- Hapasil
- Hapadex
Work with Netobimin
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.