(4S)-2,4-dimethylthietane 1-oxide

C5H10OS — CID 130381787

IUPAC(4S)-2,4-dimethylthietane 1-oxide
SMILESCC1C[C@H](C)S1=O
InChIInChI=1S/C5H10OS/c1-4-3-5(2)7(4)6/h4-5H,3H2,1-2H3/t4-,5?,7?/m0/s1
InChIKeyHYDGDXIUBNPQMG-JZMYEYFNSA-N
MW118.20 g/mol
LogP0.92
Rot. Bonds

About (4S)-2,4-dimethylthietane 1-oxide

(4S)-2,4-dimethylthietane 1-oxide (PubChem CID 130381787) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (4S)-2,4-dimethylthietane 1-oxide.

Molecular Properties

Compound Name(4S)-2,4-dimethylthietane 1-oxide
PubChem CID130381787
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(4S)-2,4-dimethylthietane 1-oxide
SMILESCC1C[C@H](C)S1=O
InChIInChI=1S/C5H10OS/c1-4-3-5(2)7(4)6/h4-5H,3H2,1-2H3/t4-,5?,7?/m0/s1
InChIKeyHYDGDXIUBNPQMG-JZMYEYFNSA-N
XLogP0.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethylthietane 1-oxide
CID 130381681
2,6-dimethylthiane 1-oxide
CID 54262172
2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
CID 130621097
5-methyl-1-oxo-1,2-thiazolidin-3-one
CID 67121918
(4R,6S)-4,6-dimethyl-1,3,2-dioxathiane 2-oxide
CID 10920682
10-methyl-9λ4-thia-13-azabicyclo[6.5.0]tridecane 9-oxide
CID 66224686
(2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide
CID 132526345
(1S,2R)-2-methylthiane 1-oxide
CID 134927522
2-methyl-4-propylthiolane 1-oxide
CID 147789448
2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide
CID 10103589
3-ethyl-2,6-dimethyl-1,4-thiazinane 1-oxide
CID 66241652
2-methyl-7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
CID 66243498

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethylthietane 1-oxide?
The IUPAC name of (4S)-2,4-dimethylthietane 1-oxide (CID 130381787) is (4S)-2,4-dimethylthietane 1-oxide.
What is the SMILES notation for (4S)-2,4-dimethylthietane 1-oxide?
The canonical SMILES for (4S)-2,4-dimethylthietane 1-oxide is CC1C[C@H](C)S1=O.
What is the InChIKey of (4S)-2,4-dimethylthietane 1-oxide?
The InChIKey is HYDGDXIUBNPQMG-JZMYEYFNSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-3-5(2)7(4)6/h4-5H,3H2,1-2H3/t4-,5?,7?/m0/s1.
What are the key properties of (4S)-2,4-dimethylthietane 1-oxide?
(4S)-2,4-dimethylthietane 1-oxide has a molecular weight of 118.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethylthietane 1-oxide is sourced from PubChem (CID 130381787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).