1-Methanesulfonylindoline

CAT: 0127-OR910577-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR910577-01Size:1 g

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CAS Number

5825-63-8

MDL Number

MFCD01213175

Purity

98%

Smiles

CS(=O)(=O)N1CCc2ccccc12

Chemical Information

1-(Methylsulfonyl)indoline

CAS Number	5825-63-8
PubChem CID	639972
IUPAC Name	1-methylsulfonyl-2,3-dihydroindole
Molecular Formula	C9H11NO2S
Molecular Weight	197.26
XLogP	1.1
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	280

SMILES

CS(=O)(=O)N1CCC2=CC=CC=C21

InChI

InChI=1S/C9H11NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3

InChIKey

UTGYXFSLMMMLAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5825-63-8

CID: 639972

Formula: C9H11NO2S

MW: 197.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.26
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	197.05104977
Monoisotopic Mass	197.05104977
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	280
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
BUP12620-01	1,1,1,1-Kestohexaose
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
PC01657-01	1,1,1-Trifluorohexane
PC106393	1,1,1-Trifluorodecane
PC53034	1,1,1-Trifluoropentane
OR16079-01	1,1,1-Trichloroacetone
PC7180-01	1,1,1-Trifluoroacetone
PC106394	1,1,1-Trifluorooctane
PC450209-01	1,1,1-Tribromotrifluoroacetone

Catalog	Name
297272-01	1,1,1,1,1-Kestoheptaose
T5790-01	1,1,1,1-Kestohexaose
MBS5752139	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
410416-01	1,1,1-Trichlorododcane
158582	1,1,1-Trimethoxybutane
AAA91800	1,1,1-Trichloroacetone