3,5-Dinitro-2-thiophenamine

C₄H₃N₃O₄SCAS 2045-70-7189.15 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₄H₃N₃O₄S
Molar mass: 189.15 g/mol
Exact mass: 188.9844 Da
Melting point: 178.9–180.8 °C
logP: 1.15Crippen estimate
Polar surface area: 112.3 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

2045-70-7

SMILES

Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]

InChIKey

DZRZHFOFVWAKGT-UHFFFAOYSA-N

InChI

InChI=1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2

Weigh it out

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

Names and synonyms

2 names

2-Thiophenamine, 3,5-dinitro-
2-Amino-3,5-dinitrothiophene

Work with 3,5-Dinitro-2-thiophenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Trinitroaniline489-98-545 % similar 3,4-Dinitroaniline610-41-344 % similar 4-Methyl-3-nitroaniline119-32-443 % similar 4-Amino-2,6-dinitrotoluene19406-51-043 % similar 2,6-Dinitroaniline606-22-442 % similar 2,4-Dimethyl-5-nitroaniline2124-47-242 % similar 4-Nitro-m-phenylenediamine5131-58-842 % similar 2-Nitro-4-phenylenediamine5307-14-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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