4- ((3-Bromophenyl) sulfonyl) thiomorpholine

CAT: 0127-OR1054579Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1054579Size:1 g

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CAS Number

850349-32-5

MDL Number

MFCD06657738

Purity

97%

Smiles

O=S(N1CCSCC1)(C2=CC=CC(Br)=C2)=O

Chemical Information

4-(3-Bromo-benzenesulfonyl)-thiomorpholine

CAS Number	850349-32-5
PubChem CID	17749946
IUPAC Name	4-(3-bromophenyl)sulfonylthiomorpholine
Molecular Formula	C10H12BrNO2S2
Molecular Weight	322.2
XLogP	2.2
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	322

SMILES

C1CSCCN1S(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H12BrNO2S2/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7H2

InChIKey

ALQQBRRUKQEDOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 850349-32-5

CID: 17749946

Formula: C10H12BrNO2S2

MW: 322.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.2
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	320.94928
Monoisotopic Mass	320.94928
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	322
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
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OR303877-01	6-[ (4-Bromophenyl) sulfonyl]-3-pyridinylamine
OR1093999-01	4- ((4-bromophenyl) sulfonyl) benzonitrile
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PC1007527-01	1- ((4-Bromophenyl) sulfonyl) -3,5-difluorobenzene
PC1007479-01	2- ((4-Bromophenyl) sulfonyl) -1,3-difluorobenzene

Catalog	Name
UTB28318-01	3- (Thiomorpholine-4-sulfonyl) thiophene-2-carboxylic acid
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TYD-02843-01	N- ((4-Bromophenyl) sulfonyl) -3-methylbutanamide
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