2- (2-chlorophenyl) thiomorpholine hydrochloride

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CAS Number

1172888-52-6

MDL Number

MFCD03840041

Smiles

Cl.Clc1ccccc1C2CNCCS2

Chemical Information

2-(2-Chlorophenyl) thiomorpholine hydrochloride

CAS Number	1172888-52-6
PubChem CID	17749818
IUPAC Name	2-(2-chlorophenyl)thiomorpholine;hydrochloride
Molecular Formula	C10H13Cl2NS
Molecular Weight	250.19
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

C1CSC(CN1)C2=CC=CC=C2Cl.Cl

InChI

InChI=1S/C10H12ClNS.ClH/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10;/h1-4,10,12H,5-7H2;1H

InChIKey

URFYZGHXGVXXJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1172888-52-6

CID: 17749818

Formula: C10H13Cl2NS

MW: 250.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.19
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	249.0145760
Monoisotopic Mass	249.0145760
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
413138-01	2- (2-Chlorophenyl) thiomorpholine Hydrochloride
229304-01	2- (2-Chlorophenyl) Thiomorpholine Hydrochloride 98+% (HPLC)
sc-470422	2- (4-Methoxyphenyl) Thiomorpholine Hydrochloride
PDA58339-01	4- (2-Chloroethyl) thiomorpholine hydrochloride
277876-01	2- (4-Fluorophenyl) Thiomorpholine Hydrochloride
abx188712	Ethyl Thiomorpholine-2-Carboxylate Hydrochloride
sc-472592	2-[4- (Trifluoromethyl) Phenyl] Thiomorpholine Hydrochloride
DXC58751-01	2, 2-Diethyl-thiomorpholine 1-oxide hydrochloride
XWC55425-01	2-Methyl-thiomorpholine 1, 1-dioxide hydrochloride
DXC58301-01	2, 2-Diethyl-thiomorpholine 1, 1-dioxide hydrochloride