(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol

C12H16OS — CID 106933303

IUPAC(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
SMILESC[C@H](O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16OS/c1-9(13)8-14-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1
InChIKeyMPDCBUYJQBDOOW-VIFPVBQESA-N
MW208.33 g/mol
LogP2.65
Rot. Bonds3

About (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol

(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol (PubChem CID 106933303) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
PubChem CID106933303
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
SMILESC[C@H](O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16OS/c1-9(13)8-14-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1
InChIKeyMPDCBUYJQBDOOW-VIFPVBQESA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine
CID 64647682

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol?
The IUPAC name of (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol (CID 106933303) is (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol?
The canonical SMILES for (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol is C[C@H](O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol?
The InChIKey is MPDCBUYJQBDOOW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16OS/c1-9(13)8-14-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol?
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol has a molecular weight of 208.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 106933303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).