2-methyloxolane-2-thiol

C5H10OS — CID 53400675

IUPAC2-methyloxolane-2-thiol
SMILESCC1(S)CCCO1
InChIInChI=1S/C5H10OS/c1-5(7)3-2-4-6-5/h7H,2-4H2,1H3
InChIKeyYTKFZKSCUWBZSQ-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.44
Rot. Bonds

About 2-methyloxolane-2-thiol

2-methyloxolane-2-thiol (PubChem CID 53400675) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methyloxolane-2-thiol.

Molecular Properties

Compound Name2-methyloxolane-2-thiol
PubChem CID53400675
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methyloxolane-2-thiol
SMILESCC1(S)CCCO1
InChIInChI=1S/C5H10OS/c1-5(7)3-2-4-6-5/h7H,2-4H2,1H3
InChIKeyYTKFZKSCUWBZSQ-UHFFFAOYSA-N
XLogP1.44
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Tetrahydro-2-methyl-3-furanthiol
CID 62128
2,5-Dimethyltetrahydrofuran-3-thiol
CID 20442793
(Oxolan-2-yl)methanethiol
CID 192806
5-methyldihydro-2(3H)-furanthione
CID 10898697
(2S,3R)-2-methyltetrahydrofuran-3-thiol
CID 7157263
Tetrahydro-2-methyl-3-furanthiol, cis-(+)-
CID 7157265
(5R)-5-methyloxolane-2-thione
CID 11389381
(2R,3R)-2-methyltetrahydrofuran-3-thiol
CID 7157262
(2R,3S)-2-Methyltetrahydrofuran-3-thiol
CID 7157264
5-Methyloxolane-3-thione
CID 18379391
5-Methyloxolane-3-thiol
CID 22572174
[(2R)-oxolan-2-yl]methanethiol
CID 40521332

Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane-2-thiol?
The IUPAC name of 2-methyloxolane-2-thiol (CID 53400675) is 2-methyloxolane-2-thiol.
What is the SMILES notation for 2-methyloxolane-2-thiol?
The canonical SMILES for 2-methyloxolane-2-thiol is CC1(S)CCCO1.
What is the InChIKey of 2-methyloxolane-2-thiol?
The InChIKey is YTKFZKSCUWBZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-5(7)3-2-4-6-5/h7H,2-4H2,1H3.
What are the key properties of 2-methyloxolane-2-thiol?
2-methyloxolane-2-thiol has a molecular weight of 118.20 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane-2-thiol is sourced from PubChem (CID 53400675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).