(1S)-8-oxa-2-thiabicyclo[3.2.1]octane

C6H10OS — CID 135028292

IUPAC(1S)-8-oxa-2-thiabicyclo[3.2.1]octane
SMILESC1CC2CC[C@@H](O2)S1
InChIInChI=1S/C6H10OS/c1-2-6-7-5(1)3-4-8-6/h5-6H,1-4H2/t5?,6-/m0/s1
InChIKeyTZVYVBZMMPTHMM-GDVGLLTNSA-N
MW130.21 g/mol
LogP1.63
Rot. Bonds

About (1S)-8-oxa-2-thiabicyclo[3.2.1]octane

(1S)-8-oxa-2-thiabicyclo[3.2.1]octane (PubChem CID 135028292) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (1S)-8-oxa-2-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S)-8-oxa-2-thiabicyclo[3.2.1]octane
PubChem CID135028292
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(1S)-8-oxa-2-thiabicyclo[3.2.1]octane
SMILESC1CC2CC[C@@H](O2)S1
InChIInChI=1S/C6H10OS/c1-2-6-7-5(1)3-4-8-6/h5-6H,1-4H2/t5?,6-/m0/s1
InChIKeyTZVYVBZMMPTHMM-GDVGLLTNSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-oxabicyclo[5.2.1]decane
CID 118210101
(1S,2R)-2-bromo-9-oxabicyclo[3.3.1]nonane
CID 130763635
(1R,2R,6R)-2-iodo-9-oxabicyclo[4.2.1]nonane
CID 94036968
2-bromo-9-oxabicyclo[4.2.1]nonane
CID 580511
3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
CID 118210349
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane
CID 170097259
(1S,3S,7R,9S)-8-methyl-5,11-bis(thiolan-2-yl)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 131974497
8,9,10-trioxabicyclo[5.2.1]decane
CID 100928486
7-oxa-3-thia-2-azabicyclo[4.1.0]heptane
CID 155135796
2-methyl-7-oxa-2-azabicyclo[2.2.1]heptane
CID 70331184
2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79854942

Frequently Asked Questions

What is the IUPAC name of (1S)-8-oxa-2-thiabicyclo[3.2.1]octane?
The IUPAC name of (1S)-8-oxa-2-thiabicyclo[3.2.1]octane (CID 135028292) is (1S)-8-oxa-2-thiabicyclo[3.2.1]octane.
What is the SMILES notation for (1S)-8-oxa-2-thiabicyclo[3.2.1]octane?
The canonical SMILES for (1S)-8-oxa-2-thiabicyclo[3.2.1]octane is C1CC2CC[C@@H](O2)S1.
What is the InChIKey of (1S)-8-oxa-2-thiabicyclo[3.2.1]octane?
The InChIKey is TZVYVBZMMPTHMM-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6-7-5(1)3-4-8-6/h5-6H,1-4H2/t5?,6-/m0/s1.
What are the key properties of (1S)-8-oxa-2-thiabicyclo[3.2.1]octane?
(1S)-8-oxa-2-thiabicyclo[3.2.1]octane has a molecular weight of 130.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-8-oxa-2-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 135028292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).