1-(Methylthio)-3-nitrobenzene

C₇H₇NO₂SCAS 2524-76-7169.20 g/mol

Open in Covalent MOL file

Nitro Sulfide Tertiary Amine

Properties

Molecular formula: C₇H₇NO₂S
Molar mass: 169.20 g/mol
Exact mass: 169.0197 Da
Melting point: 14.5 °C
Boiling point: 133–134 °C (at 4 Torr)
logP: 2.32Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

2524-76-7

SMILES

CSc1cccc([N+](=O)[O-])c1

InChIKey

GBGVXOUUXAIELM-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

Weigh it out

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

Names and synonyms

9 names

Benzene, 1-(methylthio)-3-nitro-
Sulfide, methyl m-nitrophenyl
Methyl m-nitrophenyl sulfide
m-Nitrothioanisole
m-Nitrophenyl methyl sulfide
Methyl 3-nitrophenyl sulfide
NSC 53644
1-(Methylsulfanyl)-3-nitrobenzene
3-Nitrothioanisole

Work with 1-(Methylthio)-3-nitrobenzene

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

Same formula

2-(4-Pyridinylthio)acetic acid10351-19-6 4-Amino-3-mercaptobenzoic acid14543-45-4

Elsewhere

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