6- (Methylthio) -1-indanone

CAT: 0024-sc-227040Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227040Size:1 g

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CAS Number

138485-82-2

Chemical Information

6-(Methylthio)-1-indanone

CAS Number	138485-82-2
PubChem CID	15120785
IUPAC Name	6-methylsulfanyl-2,3-dihydroinden-1-one
Molecular Formula	C10H10OS
Molecular Weight	178.25
XLogP	2.2
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	190

SMILES

CSC1=CC2=C(CCC2=O)C=C1

InChI

InChI=1S/C10H10OS/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3

InChIKey

NHJZHQRRHNSFCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138485-82-2

CID: 15120785

Formula: C10H10OS

MW: 178.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.25
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	178.04523611
Monoisotopic Mass	178.04523611
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190
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

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