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

C6H10OS — CID 76717875

IUPAC5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESC1=CSCCCCO1
InChIInChI=1S/C6H10OS/c1-2-5-8-6-4-7-3-1/h4,6H,1-3,5H2
InChIKeyUDQPQBCGMLAJHH-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds

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

5,6,7,8-tetrahydro-1,4-oxathiocine (PubChem CID 76717875) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1,4-oxathiocine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1,4-oxathiocine
PubChem CID76717875
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESC1=CSCCCCO1
InChIInChI=1S/C6H10OS/c1-2-5-8-6-4-7-3-1/h4,6H,1-3,5H2
InChIKeyUDQPQBCGMLAJHH-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1,4-oxathiocine?
The IUPAC name of 5,6,7,8-tetrahydro-1,4-oxathiocine (CID 76717875) is 5,6,7,8-tetrahydro-1,4-oxathiocine.
What is the SMILES notation for 5,6,7,8-tetrahydro-1,4-oxathiocine?
The canonical SMILES for 5,6,7,8-tetrahydro-1,4-oxathiocine is C1=CSCCCCO1.
What is the InChIKey of 5,6,7,8-tetrahydro-1,4-oxathiocine?
The InChIKey is UDQPQBCGMLAJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-5-8-6-4-7-3-1/h4,6H,1-3,5H2.
What are the key properties of 5,6,7,8-tetrahydro-1,4-oxathiocine?
5,6,7,8-tetrahydro-1,4-oxathiocine has a molecular weight of 130.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1,4-oxathiocine is sourced from PubChem (CID 76717875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).