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6-(methylsulfanyl)-2,3-dihydroinden-1-one

6-(methylsulfanyl)-2,3-dihydroinden-1-one

CAS: 138485-82-2

Formula: C10H10OS

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

IUPAC: 6-(methylsulfanyl)-2,3-dihydro-1H-inden-1-one

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

Composition: C (67.38%), H (5.66%), O (8.98%), S (17.99%)

Molar Mass: 178.25

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.045236116
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NHJZHQRRHNSFCH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.48
Topological Polar Surface Area 17.07
Polarizability 20.06
Ring Count 2
Rotatable Bond Count 1

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