(2S,3S)-2-propylthiolan-3-ol

C7H14OS — CID 10419326

IUPAC(2S,3S)-2-propylthiolan-3-ol
SMILESCCC[C@@H]1SCC[C@@H]1O
InChIInChI=1S/C7H14OS/c1-2-3-7-6(8)4-5-9-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyLYGCBEUFROSAOA-BQBZGAKWSA-N
MW146.25 g/mol
LogP1.65
Rot. Bonds2

About (2S,3S)-2-propylthiolan-3-ol

(2S,3S)-2-propylthiolan-3-ol (PubChem CID 10419326) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2S,3S)-2-propylthiolan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-propylthiolan-3-ol
PubChem CID10419326
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2S,3S)-2-propylthiolan-3-ol
SMILESCCC[C@@H]1SCC[C@@H]1O
InChIInChI=1S/C7H14OS/c1-2-3-7-6(8)4-5-9-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyLYGCBEUFROSAOA-BQBZGAKWSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylthiolan-3-ol
CID 19957309
Thiolan-2-ylmethanol
CID 22395729
trans-2-Methylthiolan-3-ol
CID 56991911
2-(Thiolan-2-yl)ethan-1-ol
CID 14792110
(2R,3R)-2-propan-2-ylthiolan-3-ol
CID 10057633
(2S,3S)-2-methylthiolan-3-ol
CID 10080386
1-(Butylsulfanyl)hexan-2-ol
CID 14094711
1-(Octylsulfanyl)hexane-2-ol
CID 19102251
1-(Ethylsulfanyl)hexan-2-ol
CID 65131215
2-Methylthiolan-5-ol
CID 89055474
(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol
CID 58320976
(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 59796297

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-propylthiolan-3-ol?
The IUPAC name of (2S,3S)-2-propylthiolan-3-ol (CID 10419326) is (2S,3S)-2-propylthiolan-3-ol.
What is the SMILES notation for (2S,3S)-2-propylthiolan-3-ol?
The canonical SMILES for (2S,3S)-2-propylthiolan-3-ol is CCC[C@@H]1SCC[C@@H]1O.
What is the InChIKey of (2S,3S)-2-propylthiolan-3-ol?
The InChIKey is LYGCBEUFROSAOA-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-3-7-6(8)4-5-9-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-propylthiolan-3-ol?
(2S,3S)-2-propylthiolan-3-ol has a molecular weight of 146.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-propylthiolan-3-ol is sourced from PubChem (CID 10419326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).