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

C7H12OS — CID 76717874

IUPAC8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCSC=CO1
InChIInChI=1S/C7H12OS/c1-7-3-2-5-9-6-4-8-7/h4,6-7H,2-3,5H2,1H3
InChIKeyDHZHQHWYCKAIBK-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds

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

8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (PubChem CID 76717874) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.

Molecular Properties

Compound Name8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
PubChem CID76717874
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESCC1CCCSC=CO1
InChIInChI=1S/C7H12OS/c1-7-3-2-5-9-6-4-8-7/h4,6-7H,2-3,5H2,1H3
InChIKeyDHZHQHWYCKAIBK-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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The IUPAC name of 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine (CID 76717874) is 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine.
What is the SMILES notation for 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The canonical SMILES for 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is CC1CCCSC=CO1.
What is the InChIKey of 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
The InChIKey is DHZHQHWYCKAIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-7-3-2-5-9-6-4-8-7/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine?
8-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 8-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine is sourced from PubChem (CID 76717874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).