2'- (Methylsulphanyl) acetanilide

CAT: 0127-OR41169Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR41169Size:250 mg

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CAS Number

6310-41-4

Synonyms

N-[2- (Methylsulphanyl) phenyl]acetamide, N-[2- (Methylthio) phenyl]acetamide

MDL Number

MFCD00048192

Purity

=95%

Smiles

CSc1ccccc1NC(=O)C

Chemical Information

N-(2-(Methylthio)phenyl)acetamide

CAS Number	6310-41-4
PubChem CID	237769
IUPAC Name	N-(2-methylsulfanylphenyl)acetamide
Molecular Formula	C9H11NOS
Molecular Weight	181.26
XLogP	1.5
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	161

SMILES

CC(=O)NC1=CC=CC=C1SC

InChI

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

InChIKey

AMWFIKFWXRBICX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6310-41-4

CID: 237769

Formula: C9H11NOS

MW: 181.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.26
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	181.05613515
Monoisotopic Mass	181.05613515
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR15527	2- (Methylsulphanyl) pyrimidine
OR4955-01	2- (Methylsulphanyl) aniline
OR0657-01	2- (Methylsulphanyl) benzylamine
OR9712-01	2- (Methylsulphanyl) anisole
OR200156-01	2- (Methylsulphanyl) benzamide
PC7448-01	2'- (Trifluoromethyl) acetanilide
PC7433B	2'- (Trifluoromethoxy) acetanilide
OR924603	Acetanilide
OR0658	2- (Methylsulphanyl) phenyl isocyanate
PC5294-01	4'-Nitro-2'- (trifluoromethyl) acetanilide