5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine

C7H12OS — CID 76717876

IUPAC5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCOC=CS1
InChIInChI=1S/C7H12OS/c1-7-3-2-4-8-5-6-9-7/h5-7H,2-4H2,1H3
InChIKeyFMYHAPTWFQCXOV-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds

About 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine

5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (PubChem CID 76717876) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.

Molecular Properties

Compound Name5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
PubChem CID76717876
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCOC=CS1
InChIInChI=1S/C7H12OS/c1-7-3-2-4-8-5-6-9-7/h5-7H,2-4H2,1H3
InChIKeyFMYHAPTWFQCXOV-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine 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

(2Z)-8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183479
(2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183637
5-methyl-6,7-dihydro-5H-1,4-oxathiepine
CID 58183642
(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183646
1-Ethenylsulfanyl-4-methoxybutane
CID 59339606
8-Methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 76717874
5,6,7,8-Tetrahydro-1,4-oxathiocine
CID 76717875
2-Methylidene-1,3-oxathiocane
CID 151553162
2-(Ethenoxymethyl)thiolane
CID 176603954
2-(3-Ethenoxypropyl)thiirane
CID 176604917

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The IUPAC name of 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (CID 76717876) is 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.
What is the SMILES notation for 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The canonical SMILES for 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is CC1CCCOC=CS1.
What is the InChIKey of 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The InChIKey is FMYHAPTWFQCXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-7-3-2-4-8-5-6-9-7/h5-7H,2-4H2,1H3.
What are the key properties of 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine has a molecular weight of 144.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is sourced from PubChem (CID 76717876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).