What is the PubChem CID of 2-Bromothioanisole?
PubChem CID 88166
What is the molecular formula of 2-Bromothioanisole?
The molecular formula is C7H7BrS.
What is the molecular weight of 2-Bromothioanisole?
The molecular weight is 203.10 g/mol.
What is the IUPAC name of 2-Bromothioanisole?
The IUPAC name is 1-bromo-2-methylsulfanylbenzene.
What is the InChI of 2-Bromothioanisole?
The InChI is InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3.
What is the InChIKey of 2-Bromothioanisole?
The InChIKey is ALAQDUSTXPEHMH-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Bromothioanisole?
The canonical SMILES is CSC1=CC=CC=C1Br.
What is the CAS number of 2-Bromothioanisole?
The CAS number is 19614-16-5.
What is the XLogP3-AA value of 2-Bromothioanisole?
The XLogP3-AA value is 3.1.
Is 2-Bromothioanisole a canonicalized compound?
Yes, 2-Bromothioanisole is canonicalized.