(5R)-5-methyloxolane-2-thione

C5H8OS — CID 11389381

IUPAC(5R)-5-methyloxolane-2-thione
SMILESC[C@@H]1CCC(=S)O1
InChIInChI=1S/C5H8OS/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyNXRUJTFWVBKVAF-SCSAIBSYSA-N
MW116.19 g/mol
LogP1.51
Rot. Bonds

About (5R)-5-methyloxolane-2-thione

(5R)-5-methyloxolane-2-thione (PubChem CID 11389381) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is (5R)-5-methyloxolane-2-thione.

Molecular Properties

Compound Name(5R)-5-methyloxolane-2-thione
PubChem CID11389381
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name(5R)-5-methyloxolane-2-thione
SMILESC[C@@H]1CCC(=S)O1
InChIInChI=1S/C5H8OS/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyNXRUJTFWVBKVAF-SCSAIBSYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyltetrahydrofuran
CID 7301
Tetrahydro-2-methyl-3-furanthiol
CID 62128
2-Methyltetrahydrofuran, (R)-
CID 641521
2-Methyltetrahydrofuran, (S)-
CID 7568485
5-methyldihydro-2(3H)-furanthione
CID 10898697
(2S,3R)-2-methyltetrahydrofuran-3-thiol
CID 7157263
Tetrahydro-2-methyl-3-furanthiol, cis-(+)-
CID 7157265
2-Methyloxolane-2-thiol
CID 53400675
5-Ethyloxolane-2-thione
CID 86200058
O-pentan-3-yl ethanethioate
CID 162414085
(2R,3R)-2-methyltetrahydrofuran-3-thiol
CID 7157262
(2R,3S)-2-Methyltetrahydrofuran-3-thiol
CID 7157264

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyloxolane-2-thione?
The IUPAC name of (5R)-5-methyloxolane-2-thione (CID 11389381) is (5R)-5-methyloxolane-2-thione.
What is the SMILES notation for (5R)-5-methyloxolane-2-thione?
The canonical SMILES for (5R)-5-methyloxolane-2-thione is C[C@@H]1CCC(=S)O1.
What is the InChIKey of (5R)-5-methyloxolane-2-thione?
The InChIKey is NXRUJTFWVBKVAF-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8OS/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (5R)-5-methyloxolane-2-thione?
(5R)-5-methyloxolane-2-thione has a molecular weight of 116.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyloxolane-2-thione is sourced from PubChem (CID 11389381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).