N-(4-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-(4-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Formula: C12H13ClN4OS

SMILES: CC(SC1=NNC(C)=N1)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: N-(4-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

InChI: InChI=1/C12H13ClN4OS/c1-7(19-12-14-8(2)16-17-12)11(18)15-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,15,18)(H,14,16,17)

Composition: C (48.57%), H (4.42%), Cl (11.95%), N (18.88%), O (5.39%), S (10.80%)

Molar Mass: 296.77

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	296.0498599
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CJAZIJXZLPRAPM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.87
Topological Polar Surface Area	70.67
Polarizability	29.32
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H13ClN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00