2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoic acid

2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoic acid

Formula: C10H10N2O2S

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

IUPAC: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoic acid

InChI: InChI=1/C10H10N2O2S/c1-6(9(13)14)15-10-11-7-4-2-3-5-8(7)12-10/h2-6H,1H3,(H,11,12)(H,13,14)

Composition: C (54.04%), H (4.54%), N (12.60%), O (14.40%), S (14.42%)

Molar Mass: 222.26

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	222.046298744
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BPGKQRFDAPZJPQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.93
Topological Polar Surface Area	65.98
Polarizability	23.74
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C10H10N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00