2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]butanoic acid

2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]butanoic acid

Formula: C11H11BrN2O2S

SMILES: CCC(SC1=NC2=CC(Br)=CC=C2N1)C(O)=O

IUPAC: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]butanoic acid

InChI: InChI=1/C11H11BrN2O2S/c1-2-9(10(15)16)17-11-13-7-4-3-6(12)5-8(7)14-11/h3-5,9H,2H2,1H3,(H,13,14)(H,15,16)

Composition: C (41.92%), H (3.52%), Br (25.35%), N (8.89%), O (10.15%), S (10.17%)

Molar Mass: 315.19

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	313.972462
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BEVRXLFNUGYRCN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.07
Topological Polar Surface Area	65.98
Polarizability	28.38
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H11BrN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00