chempirical

2-Bromobenzyl mercaptan

C7H7BrSCAS 143888-85-1203.10 g/mol

Open in Covalent MOL file
HSBr
Aryl halideThiol

Properties

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

Identifiers

CAS number
143888-85-1
SMILES
C1=CC=C(C(=C1)CS)Br
InChIKey
UJNSDLRPHRMVGZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

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Names and synonyms

1 names
  • (2-Bromophenyl)methanethiol

Work with 2-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

2-Bromobenzyl bromide3433-80-554 % similar 2-Bromobenzyl alcohol18982-54-252 % similar 1-Bromo-2-ethylbenzene1973-22-452 % similar 2-Chlorobenzyl mercaptan39718-00-850 % similar 2-Bromobenzeneethanol1074-16-448 % similar (2-Bromophenyl)acetonitrile19472-74-348 % similar 2-Bromobenzylamine hydrochloride5465-63-446 % similar 1,2-Dibromobenzene583-53-945 % similar

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

Same formula

4-Bromothioanisole104-95-0 2-Bromothioanisole19614-16-5 3-Bromothioanisole33733-73-2

Elsewhere

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