(2S,3R)-2-methyloxolane-3-thiol

C5H10OS — CID 7157263

IUPAC(2S,3R)-2-methyloxolane-3-thiol
SMILESC[C@@H]1OCC[C@H]1S
InChIInChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyDBPHPBLAKVZXOY-CRCLSJGQSA-N
MW118.20 g/mol
LogP1.09
Rot. Bonds

About (2S,3R)-2-methyloxolane-3-thiol

(2S,3R)-2-methyloxolane-3-thiol (PubChem CID 7157263) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (2S,3R)-2-methyloxolane-3-thiol.

Molecular Properties

Compound Name(2S,3R)-2-methyloxolane-3-thiol
PubChem CID7157263
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(2S,3R)-2-methyloxolane-3-thiol
SMILESC[C@@H]1OCC[C@H]1S
InChIInChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyDBPHPBLAKVZXOY-CRCLSJGQSA-N
XLogP1.09
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 ≤ 51.09
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
Ethanethiol, 2-(cyclopentyloxy)-
CID 202352
(Oxolan-2-yl)methanethiol
CID 192806
5-methyldihydro-2(3H)-furanthione
CID 10898697
Tetrahydro-2-methyl-3-furanthiol, cis-(+)-
CID 7157265
(5R)-5-methyloxolane-2-thione
CID 11389381
2-[(Methylsulfanyl)methyl]tetrahydrofuran
CID 11789247
2-Methyloxolane-2-thiol
CID 53400675
(5-Methyloxolan-2-yl) thiohypofluorite
CID 144748822
2-Ethyloxolane-3-thiol
CID 15720838
(2R,3R)-2-methyltetrahydrofuran-3-thiol
CID 7157262

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyloxolane-3-thiol?
The IUPAC name of (2S,3R)-2-methyloxolane-3-thiol (CID 7157263) is (2S,3R)-2-methyloxolane-3-thiol.
What is the SMILES notation for (2S,3R)-2-methyloxolane-3-thiol?
The canonical SMILES for (2S,3R)-2-methyloxolane-3-thiol is C[C@@H]1OCC[C@H]1S.
What is the InChIKey of (2S,3R)-2-methyloxolane-3-thiol?
The InChIKey is DBPHPBLAKVZXOY-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-2-methyloxolane-3-thiol?
(2S,3R)-2-methyloxolane-3-thiol has a molecular weight of 118.20 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyloxolane-3-thiol is sourced from PubChem (CID 7157263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).