4-Phenylthiomorpholine 1,1-Dioxide

CAT: 0024-sc-473744Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-473744Size:5 g

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CAS Number

17688-68-5

Chemical Information

Thiomorpholine, 4-phenyl-, 1,1-dioxide

CAS Number	17688-68-5
PubChem CID	87241
IUPAC Name	4-phenyl-1,4-thiazinane 1,1-dioxide
Molecular Formula	C10H13NO2S
Molecular Weight	211.28
XLogP	0.9
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	261

SMILES

C1CS(=O)(=O)CCN1C2=CC=CC=C2

InChI

InChI=1S/C10H13NO2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

OLQHDKQJHKZUNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17688-68-5

CID: 87241

Formula: C10H13NO2S

MW: 211.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.28
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	211.06669983
Monoisotopic Mass	211.06669983
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	261
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-331427	N-Phenylthiomorpholin-4-amine 1,1-dioxide
sc-261111	3-Phenylthiomorpholine
sc-261111A	3-Phenylthiomorpholine
sc-391914	Pyrazine 1,4-Dioxide
sc-289934A	4-Benzylthiomorpholine 1,1-Dioxide
sc-472466	4-Aminothiomorpholine 1,1-Dioxide
sc-267663	4-Methylthiomorpholine 1,1-dioxide
sc-289934	4-Benzylthiomorpholine 1,1-Dioxide
sc-473461	2-Phenylthiomorpholine hydrochloride
sc-486152	4- (4-Chlorophenyl) thiomorpholine 1,1-Dioxide

Catalog	Name
OR1079222-01	4-Phenylthiomorpholine 1,1-Dioxide
WAA42888-01	4-Thiomorpholinecarbothioamide 1,1-dioxide
OR1048072-01	4-Methylisothiazolidine 1,1-dioxide
RBA51188-01	4-Thiepanone 1, 1-dioxide
VMA39323-01	4-Phenylisothiazolidine 1,1-dioxide
GTR19252645-01	4-Propargylthiomorpholine 1,1-dioxide
267244-01	4-Benzylthiomorpholine 1,1-Dioxide
OR3728	4-Allylthiomorpholine 1,1-dioxide
TRC-B589270-250MG	1,4-Thiazepane-1,1-Dioxide
OR1101367-01	Pyrazine 1,4-Dioxide