2-(methylsulfanyl)-4'-nitro-1,1'-biphenyl

2-(methylsulfanyl)-4'-nitro-1,1'-biphenyl

CAS: 100727-36-4

Formula: C13H11NO2S

SMILES: CSC1=CC=CC=C1C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 2-(methylsulfanyl)-4'-nitro-1,1'-biphenyl

InChI: InChI=1S/C13H11NO2S/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3

Composition: C (63.65%), H (4.52%), N (5.71%), O (13.04%), S (13.07%)

Molar Mass: 245.3

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.051049772
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CWBSWRVIZRRKMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.27
Topological Polar Surface Area	43.14
Polarizability	28.04
Ring Count	2
Rotatable Bond Count	3

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	100727-36-4		$409.40-$1,713.50$409.40$1,061.45$1,713.50