1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium

C13H17S+ — CID 142925736

IUPAC1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium
SMILESc1ccc2c(c1)CC([S+]1CCCC1)C2
InChIInChI=1S/C13H17S/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14/h1-2,5-6,13H,3-4,7-10H2/q+1
InChIKeyDRPWUCBUNBKUJF-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.57
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium

1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium (PubChem CID 142925736) has the molecular formula C13H17S+ and a molecular weight of 205.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium
PubChem CID142925736
Molecular FormulaC13H17S+
Molecular Weight205.35 g/mol
Exact Mass205.10
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium
SMILESc1ccc2c(c1)CC([S+]1CCCC1)C2
InChIInChI=1S/C13H17S/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14/h1-2,5-6,13H,3-4,7-10H2/q+1
InChIKeyDRPWUCBUNBKUJF-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721
CID 153368411
CID 153368411
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CID 159163740
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
1a,2,7,7a-tetrahydronaphtho[2,3-b]thiirene 1,1-dioxide
CID 71387872
O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 68506766
2-(fluoromethyl)-2,3-dihydro-1H-indene
CID 90836349
(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 57377025
2-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 45117541
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
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1,2,3,4-tetrahydronaphthalene
CID 174531863

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium (CID 142925736) is 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium is c1ccc2c(c1)CC([S+]1CCCC1)C2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium?
The InChIKey is DRPWUCBUNBKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17S/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14/h1-2,5-6,13H,3-4,7-10H2/q+1.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium?
1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium has a molecular weight of 205.35 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium is sourced from PubChem (CID 142925736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).