N-[(butylsulfanyl)methyl]benzamide

N-[(butylsulfanyl)methyl]benzamide

CAS: 96721-60-7

Formula: C12H17NOS

SMILES: CCCCSCNC(=O)C1=CC=CC=C1

IUPAC: N-[(butylsulfanyl)methyl]benzamide

InChI: InChI=1S/C12H17NOS/c1-2-3-9-15-10-13-12(14)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)

Composition: C (64.54%), H (7.67%), N (6.27%), O (7.16%), S (14.36%)

Molar Mass: 223.33

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.103085345
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	CJYXHXZAJOCZFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.02
Topological Polar Surface Area	29.1
Polarizability	25.43
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	96721-60-7		$406.76$406.76