N-[3-(methylsulfanyl)phenyl]acetamide

N-[3-(methylsulfanyl)phenyl]acetamide

CAS: 2524-78-9

Formula: C9H11NOS

SMILES: CSC1=CC(NC(C)=O)=CC=C1

IUPAC: N-[3-(methylsulfanyl)phenyl]acetamide

InChI: InChI=1S/C9H11NOS/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)

Composition: C (59.64%), H (6.12%), N (7.73%), O (8.83%), S (17.69%)

Molar Mass: 181.25

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.056135152
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	DFRHNWNBWOIBRW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.68
Topological Polar Surface Area	29.1
Polarizability	20.09
Ring Count	1
Rotatable Bond Count	2

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