AI-3

CAT: 0926-HKB28828-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HKB28828-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

882288-28-0

MDL Number

MFCD00108831

Smiles

CC1 (CC2=C (SC (=C2C (=O) C1) S (=O) (=O) C) Cl) C

Molecular Formula

C11H13ClO3S2

Molecular Weight

292.8 g/mol

Controlled

Chemical Information

1-Chloro-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one

CAS Number	882288-28-0
PubChem CID	2820824
IUPAC Name	1-chloro-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one
Molecular Formula	C11H13ClO3S2
Molecular Weight	292.8
XLogP	3.1
Topological Polar Surface Area	87.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	438

SMILES

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C11H13ClO3S2/c1-11(2)4-6-8(7(13)5-11)10(16-9(6)12)17(3,14)15/h4-5H2,1-3H3

InChIKey

PVJWSALSWFDIMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 882288-28-0

CID: 2820824

Formula: C11H13ClO3S2

MW: 292.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.8
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	291.9994643
Monoisotopic Mass	291.9994643
Topological Polar Surface Area	87.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	438
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
CRB1300892	Apolipoprotein AI (62-77) Heavy
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
QPA42834	3,3,3-Trifluoropropanethioamide
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01	Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate
PID25565-01	3- (3,3,3-Trifluoropropyl) azetidine hydrochloride
VWB01274-01	3-[ (3,3,3-Trifluoropropyl) amino]propanenitrile