3-methyl-3-(2-methylsulfanylpropyl)oxetane

C8H16OS — CID 123705438

IUPAC3-methyl-3-(2-methylsulfanylpropyl)oxetane
SMILESCSC(C)CC1(C)COC1
InChIInChI=1S/C8H16OS/c1-7(10-3)4-8(2)5-9-6-8/h7H,4-6H2,1-3H3
InChIKeyZGZONVVJSUJWLV-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.16
Rot. Bonds3

About 3-methyl-3-(2-methylsulfanylpropyl)oxetane

3-methyl-3-(2-methylsulfanylpropyl)oxetane (PubChem CID 123705438) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-methyl-3-(2-methylsulfanylpropyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(2-methylsulfanylpropyl)oxetane
PubChem CID123705438
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-methyl-3-(2-methylsulfanylpropyl)oxetane
SMILESCSC(C)CC1(C)COC1
InChIInChI=1S/C8H16OS/c1-7(10-3)4-8(2)5-9-6-8/h7H,4-6H2,1-3H3
InChIKeyZGZONVVJSUJWLV-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxa-8-thia-dispiro[3,1,3,1]decane
CID 77068262
1-Methoxy-2,4-dimethyl-3-methylsulfanylpentane
CID 87313981
1-Methoxy-2,4-dimethyl-5-methylsulfanylpentane
CID 89091081
3,3-Dimethyl-4-methylsulfanyloxane
CID 123566687
3-Methyl-3-[(1-methylcyclobutyl)methylsulfanylmethyl]oxetane
CID 126678634
3-(3,3-Dimethylbutylsulfanylmethyl)-3-methyloxetane
CID 139320655
3-Ethyl-3-(methylsulfanylmethyl)oxetane
CID 154620411
1-(2-Tert-butylsulfanylethoxy)-4,4-dimethylpentane
CID 155109854
3-(4,4-Dimethyl-1-methylsulfanylpentan-3-yl)oxetane
CID 155356520
1-Methoxy-4,4-dimethyl-2-(methylsulfanylmethyl)pentane
CID 158028982
3-(Methoxymethyl)-3-propan-2-ylthietane
CID 167542491
1-(2-Methoxyethylsulfanyl)-4,4-dimethylpentane
CID 169283675

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylsulfanylpropyl)oxetane?
The IUPAC name of 3-methyl-3-(2-methylsulfanylpropyl)oxetane (CID 123705438) is 3-methyl-3-(2-methylsulfanylpropyl)oxetane.
What is the SMILES notation for 3-methyl-3-(2-methylsulfanylpropyl)oxetane?
The canonical SMILES for 3-methyl-3-(2-methylsulfanylpropyl)oxetane is CSC(C)CC1(C)COC1.
What is the InChIKey of 3-methyl-3-(2-methylsulfanylpropyl)oxetane?
The InChIKey is ZGZONVVJSUJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(10-3)4-8(2)5-9-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylsulfanylpropyl)oxetane?
3-methyl-3-(2-methylsulfanylpropyl)oxetane has a molecular weight of 160.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylsulfanylpropyl)oxetane is sourced from PubChem (CID 123705438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).