2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

C11H11O2S- — CID 7128917

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
SMILESO=C([O-])CSc1ccc2c(c1)CCC2
InChIInChI=1S/C11H12O2S/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13)/p-1
InChIKeyRUVTVWNOODRTNI-UHFFFAOYSA-M
MW207.27 g/mol
LogP1.02
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (PubChem CID 7128917) has the molecular formula C11H11O2S- and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
PubChem CID7128917
Molecular FormulaC11H11O2S-
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
SMILESO=C([O-])CSc1ccc2c(c1)CCC2
InChIInChI=1S/C11H12O2S/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13)/p-1
InChIKeyRUVTVWNOODRTNI-UHFFFAOYSA-M
XLogP1.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methoxy-N-methylacetamide
CID 60656256
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
CID 60652352
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60681982
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 43231144
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (CID 7128917) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is O=C([O-])CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The InChIKey is RUVTVWNOODRTNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12O2S/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13)/p-1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate has a molecular weight of 207.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is sourced from PubChem (CID 7128917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).