2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide

Formula: C14H14N4O3S

SMILES: CC1=CC(C)=NC(SCC(=O)NC2=CC=CC(=C2)[N+]([O-])=O)=N1

IUPAC: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide

InChI: InChI=1S/C14H14N4O3S/c1-9-6-10(2)16-14(15-9)22-8-13(19)17-11-4-3-5-12(7-11)18(20)21/h3-7H,8H2,1-2H3,(H,17,19)

Composition: C (52.82%), H (4.43%), N (17.60%), O (15.08%), S (10.07%)

Molar Mass: 318.35

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	318.078661501
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VYSKBXGIMJYMOB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.44
Topological Polar Surface Area	98.02
Polarizability	31.53
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H14N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00