4-methoxy-4-methylthiane

C7H14OS — CID 143866445

IUPAC4-methoxy-4-methylthiane
SMILESCOC1(C)CCSCC1
InChIInChI=1S/C7H14OS/c1-7(8-2)3-5-9-6-4-7/h3-6H2,1-2H3
InChIKeyNFYMHHBJYQPIHD-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds1

About 4-methoxy-4-methylthiane

4-methoxy-4-methylthiane (PubChem CID 143866445) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-methoxy-4-methylthiane.

Molecular Properties

Compound Name4-methoxy-4-methylthiane
PubChem CID143866445
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name4-methoxy-4-methylthiane
SMILESCOC1(C)CCSCC1
InChIInChI=1S/C7H14OS/c1-7(8-2)3-5-9-6-4-7/h3-6H2,1-2H3
InChIKeyNFYMHHBJYQPIHD-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-4-methylthiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-Dimethyl-1,3-oxathiane
CID 85773926
4-Methylthian-4-ol
CID 13057537
1-Oxa-6-thiaspiro(2.5)octane
CID 18753101
4-(Methoxymethyl)thiane
CID 57609415
2,6,6-Trimethyl-1,3-oxathiane
CID 70231443
4-Ethylthian-4-ol
CID 83681865
4-(3-Methylpentan-3-yloxy)thiane
CID 130319144
3-Methoxy-4-methylthiane
CID 145649252
Ethane;4-methoxy-4-methylthiane
CID 153573358
4-Methoxy-4-propan-2-ylthiane
CID 156487569
2-Ethyl-2-methyl-1,4-oxathiane
CID 163379831
4-Methoxy-4-propylthiane
CID 166092156

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methylthiane?
The IUPAC name of 4-methoxy-4-methylthiane (CID 143866445) is 4-methoxy-4-methylthiane.
What is the SMILES notation for 4-methoxy-4-methylthiane?
The canonical SMILES for 4-methoxy-4-methylthiane is COC1(C)CCSCC1.
What is the InChIKey of 4-methoxy-4-methylthiane?
The InChIKey is NFYMHHBJYQPIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-7(8-2)3-5-9-6-4-7/h3-6H2,1-2H3.
What are the key properties of 4-methoxy-4-methylthiane?
4-methoxy-4-methylthiane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methylthiane is sourced from PubChem (CID 143866445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).