4-Bromobenzyl mercaptan

C₇H₇BrSCAS 19552-10-4203.10 g/mol

Open in Covalent MOL file

Aryl halide Thiol

Properties

Molecular formula: C₇H₇BrS
Molar mass: 203.10 g/mol
Exact mass: 201.9452 Da
logP: 2.88Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

19552-10-4

SMILES

C1=CC(=CC=C1CS)Br

InChIKey

CUCKXDPCCYHFMQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

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Names and synonyms

1 names

(4-Bromophenyl)methanethiol

Work with 4-Bromobenzyl mercaptan

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

4-Bromobenzyl bromide589-15-152 % similar 1-Bromo-4-ethylbenzene1585-07-550 % similar 4-Fluorobenzenemethanethiol15894-04-950 % similar 4-Bromobenzenemethanamine3959-07-750 % similar 4-Methylbenzyl mercaptan4498-99-150 % similar 4-Bromobenzyl chloride589-17-350 % similar 4-Chlorobenzyl mercaptan6258-66-850 % similar 4-Bromobenzyl alcohol873-75-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromothioanisole104-95-0 2-Bromobenzyl mercaptan143888-85-1 2-Bromothioanisole19614-16-5 3-Bromothioanisole33733-73-2

Elsewhere

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