2-benzyl-1??,2,7-thiadiazepane-1,1-dione

2-benzyl-1??,2,7-thiadiazepane-1,1-dione

CAS: 1017782-61-4

Formula: C11H16N2O2S

SMILES: O=S1(=O)NCCCCN1CC1=CC=CC=C1

IUPAC: 2-benzyl-1??,2,7-thiadiazepane-1,1-dione

InChI: InChI=1S/C11H16N2O2S/c14-16(15)12-8-4-5-9-13(16)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2

Composition: C (54.98%), H (6.71%), N (11.66%), O (13.31%), S (13.34%)

Molar Mass: 240.32

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.093248937
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JHTKYQQQHIFMHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.69
Topological Polar Surface Area	49.41
Polarizability	25.26
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1017782-61-4		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43