(5S)-5-methyl-1,3-oxathiane

C5H10OS — CID 642753

IUPAC(5S)-5-methyl-1,3-oxathiane
SMILESC[C@H]1COCSC1
InChIInChI=1S/C5H10OS/c1-5-2-6-4-7-3-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyIAKQWBONUJNHHX-YFKPBYRVSA-N
MW118.20 g/mol
LogP1.34
Rot. Bonds

About (5S)-5-methyl-1,3-oxathiane

(5S)-5-methyl-1,3-oxathiane (PubChem CID 642753) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (5S)-5-methyl-1,3-oxathiane.

Molecular Properties

Compound Name(5S)-5-methyl-1,3-oxathiane
PubChem CID642753
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(5S)-5-methyl-1,3-oxathiane
SMILESC[C@H]1COCSC1
InChIInChI=1S/C5H10OS/c1-5-2-6-4-7-3-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyIAKQWBONUJNHHX-YFKPBYRVSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,3-oxathiane
CID 542685
1,3-Oxathiane
CID 542686
4,4-Dimethyl-1,3-oxathiane
CID 18539818
6-Methyl-1,3-oxathiane
CID 542719
5-Methyl-1,3-oxathiane
CID 544309
2-Ethyl-1,3-oxathiane
CID 568470
5-Isopropyl-1,3-oxathiane
CID 12382465
4-Methyl-1,3-oxathiane
CID 54139805
5,5-Dimethyl-1,3-oxathiane
CID 67189713
O-ethyl isobutyl xanthate
CID 121263301
1,3-Oxathiane, 2,5-dimethyl
CID 529078
1,3-Oxathiane, 2-(1-methylethyl)-
CID 568471

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1,3-oxathiane?
The IUPAC name of (5S)-5-methyl-1,3-oxathiane (CID 642753) is (5S)-5-methyl-1,3-oxathiane.
What is the SMILES notation for (5S)-5-methyl-1,3-oxathiane?
The canonical SMILES for (5S)-5-methyl-1,3-oxathiane is C[C@H]1COCSC1.
What is the InChIKey of (5S)-5-methyl-1,3-oxathiane?
The InChIKey is IAKQWBONUJNHHX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10OS/c1-5-2-6-4-7-3-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-methyl-1,3-oxathiane?
(5S)-5-methyl-1,3-oxathiane has a molecular weight of 118.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1,3-oxathiane is sourced from PubChem (CID 642753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).