methyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate

methyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate

Formula: C11H11N3O2S

SMILES: COC(=O)CSC1=NNC(=N1)C1=CC=CC=C1

IUPAC: methyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate

InChI: InChI=1S/C11H11N3O2S/c1-16-9(15)7-17-11-12-10(13-14-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,14)

Composition: C (53.00%), H (4.45%), N (16.86%), O (12.84%), S (12.86%)

Molar Mass: 249.29

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	249.05719778
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UQDLUZLOSOQAKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.73
Topological Polar Surface Area	67.87
Polarizability	25.9
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H11N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00