2-Amino-2'-nitro diphenyl sulfide

C₁₂H₁₀N₂O₂SCAS 19284-81-2246.28 g/mol

Open in Covalent MOL file

Nitro Primary amine Sulfide

Properties

Molecular formula: C₁₂H₁₀N₂O₂S
Molar mass: 246.28 g/mol
Exact mass: 246.0463 Da
logP: 3.33Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

19284-81-2

SMILES

C1=CC=C(C(=C1)N)SC2=CC=CC=C2[N+](=O)[O-]

InChIKey

QREMWHOIUTWWSC-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2O2S/c13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(15)16/h1-8H,13H2

Weigh it out

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Names and synonyms

1 names

2-Amino-2'-nitrodiphenyl Sulfide

Work with 2-Amino-2'-nitro diphenyl sulfide

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-Nitroaniline88-74-466 % similar 2-Nitrophenyl phenyl sulfide4171-83-963 % similar Bis(2-nitrophenyl) disulfide1155-00-661 % similar 2,2'-Diaminodiphenyl sulfide5873-51-857 % similar 3-Nitro-1,2-phenylenediamine3694-52-856 % similar 2-Nitrobenzenesulfenyl chloride7669-54-756 % similar 1-(4-Chlorophenyl)sulfanyl-2-nitrobenzene6764-10-955 % similar 2-Methyl-3-nitroaniline603-83-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-[(4-Nitrophenyl)thio]benzenamine101-59-7

Elsewhere

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