3-amino-5-[(trifluoromethyl)sulfanyl]benzamide

3-amino-5-[(trifluoromethyl)sulfanyl]benzamide

Formula: C8H7F3N2OS

SMILES: NC(=O)C1=CC(N)=CC(SC(F)(F)F)=C1

IUPAC: 3-amino-5-[(trifluoromethyl)sulfanyl]benzamide

InChI: InChI=1S/C8H7F3N2OS/c9-8(10,11)15-6-2-4(7(13)14)1-5(12)3-6/h1-3H,12H2,(H2,13,14)

Composition: C (40.68%), H (2.99%), F (24.13%), N (11.86%), O (6.77%), S (13.57%)

Molar Mass: 236.21

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.023118516
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	CBSKITHTDPAHCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.82
Topological Polar Surface Area	69.11
Polarizability	18.68
Ring Count	1
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<14 Days	C8H7F3N2OS		$510.30$510.30