(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine

C7H12OS — CID 58183646

IUPAC(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCO/C=C\S1
InChIInChI=1S/C7H12OS/c1-7-3-2-4-8-5-6-9-7/h5-7H,2-4H2,1H3/b6-5-
InChIKeyFMYHAPTWFQCXOV-WAYWQWQTSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds

About (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine

(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (PubChem CID 58183646) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.

Molecular Properties

Compound Name(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
PubChem CID58183646
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCO/C=C\S1
InChIInChI=1S/C7H12OS/c1-7-3-2-4-8-5-6-9-7/h5-7H,2-4H2,1H3/b6-5-
InChIKeyFMYHAPTWFQCXOV-WAYWQWQTSA-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 (2Z)-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

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The IUPAC name of (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (CID 58183646) is (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.
What is the SMILES notation for (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The canonical SMILES for (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is CC1CCCO/C=C\S1.
What is the InChIKey of (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The InChIKey is FMYHAPTWFQCXOV-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12OS/c1-7-3-2-4-8-5-6-9-7/h5-7H,2-4H2,1H3/b6-5-.
What are the key properties of (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
(2Z)-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 (2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is sourced from PubChem (CID 58183646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).