2- (3,5-Chlorophenoxy) thioacetamide

CAT: 0024-sc-265212Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-265212Size:250 mg

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CAS Number

119024-27-0

Chemical Information

2-(3,5-Dichlorophenoxy)ethanethioamide

CAS Number	119024-27-0
PubChem CID	2743554
IUPAC Name	2-(3,5-dichlorophenoxy)ethanethioamide
Molecular Formula	C8H7Cl2NOS
Molecular Weight	236.12
XLogP	2.7
Topological Polar Surface Area	67.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

C1=C(C=C(C=C1Cl)Cl)OCC(=S)N

InChI

InChI=1S/C8H7Cl2NOS/c9-5-1-6(10)3-7(2-5)12-4-8(11)13/h1-3H,4H2,(H2,11,13)

InChIKey

GXSDTIDTCPOGAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119024-27-0

CID: 2743554

Formula: C8H7Cl2NOS

MW: 236.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.12
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	234.9625404
Monoisotopic Mass	234.9625404
Topological Polar Surface Area	67.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
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
sc-265228	2- (4-Chlorophenoxy) thioacetamide
sc-305090	2- (3-Chlorophenoxy) -5-fluoroaniline
sc-305091	2- (3-Chlorophenoxy) -5-methylaniline
sc-265332	2-[3,5-Bis (trifluoromethyl) phenyl]thioacetamide
sc-282595A	2- (3,4-Dimethoxy) -thioacetamide
sc-318232	5-Bromo-2- (3-chlorophenoxy) aniline
sc-318479	5-Chloro-2- (3-chlorophenoxy) aniline
sc-305089	2- (3-Chlorophenoxy) -5- (trifluoromethyl) aniline
sc-317845	5-[ (3-Chlorophenoxy) methyl]-2-furaldehyde
sc-282595	2- (3,4-Dimethoxy) -thioacetamide

Catalog	Name
02674 00500	Thioacetamide 98.5% Extrapure
OR346069-01	2- (3-Methoxyphenyl) thioacetamide
PC4005	[3- (Trifluoromethyl) benzylsulphonyl]thioacetamide
PC109447-01	2-[3-Fluoro-5- (trifluoromethyl) -2-pyridyl]thioacetamide
PC8559	2-[3- (Trifluoromethyl) phenyl]thioacetamide
PC401050	2-[3-Chloro-5- (trifluoromethyl) pyridin-2-yl]thioacetamide
PC109492-01	2-[[3-Chloro-5- (trifluoromethyl) -2-pyridyl]sulfanyl]thioacetamide
OR25115-01	2- (4,5-Dichloro-1H-imidazol-1-yl) thioacetamide
OR29061-01	2-[4- (1,2,3-Thiadiazol-4-yl) phenyl]thioacetamide
T35367-01	Thioacetamide