3-bromo-2-(methylsulfanyl)benzoic acid

3-bromo-2-(methylsulfanyl)benzoic acid

Formula: C8H7BrO2S

SMILES: CSC1=C(C=CC=C1Br)C(O)=O

IUPAC: 3-bromo-2-(methylsulfanyl)benzoic acid

InChI: InChI=1S/C8H7BrO2S/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11)

Composition: C (38.89%), H (2.86%), Br (32.34%), O (12.95%), S (12.97%)

Molar Mass: 247.11

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.935014
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SRAJIAHCWLXQRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.7
Topological Polar Surface Area	37.3
Polarizability	20.44
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H7BrO2S		Quote Only