3-nitro-5-(propylsulfanyl)aniline

3-nitro-5-(propylsulfanyl)aniline

CAS: 899710-41-9

Formula: C9H12N2O2S

SMILES: CCCSC1=CC(=CC(N)=C1)[N+]([O-])=O

IUPAC: 3-nitro-5-(propylsulfanyl)aniline

InChI: InChI=1S/C9H12N2O2S/c1-2-3-14-9-5-7(10)4-8(6-9)11(12)13/h4-6H,2-3,10H2,1H3

Composition: C (50.93%), H (5.70%), N (13.20%), O (15.07%), S (15.10%)

Molar Mass: 212.27

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.061948808
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WHOCGHKSHYHXDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.16
Topological Polar Surface Area	69.16
Polarizability	21.91
Ring Count	1
Rotatable Bond Count	4

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