2-[4-(azepane-1-carbonyl)-1,2,5-thiadiazol-3-yl]phenol

2-[4-(azepane-1-carbonyl)-1,2,5-thiadiazol-3-yl]phenol

Formula: C15H17N3O2S

SMILES: OC1=CC=CC=C1C1=NSN=C1C(=O)N1CCCCCC1

IUPAC: 2-[4-(azepane-1-carbonyl)-1,2,5-thiadiazol-3-yl]phenol

InChI: InChI=1S/C15H17N3O2S/c19-12-8-4-3-7-11(12)13-14(17-21-16-13)15(20)18-9-5-1-2-6-10-18/h3-4,7-8,19H,1-2,5-6,9-10H2

Composition: C (59.39%), H (5.65%), N (13.85%), O (10.55%), S (10.57%)

Molar Mass: 303.38

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.104147973
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KNRHWBSHSHDDKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.82
Topological Polar Surface Area	66.32
Polarizability	32
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H17N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00