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

C6H10OS — CID 58183637

IUPAC(2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESC1=C\SCCCCO/1
InChIInChI=1S/C6H10OS/c1-2-5-8-6-4-7-3-1/h4,6H,1-3,5H2/b6-4-
InChIKeyUDQPQBCGMLAJHH-XQRVVYSFSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds

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

(2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine (PubChem CID 58183637) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine.

Molecular Properties

Compound Name(2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine
PubChem CID58183637
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine
SMILESC1=C\SCCCCO/1
InChIInChI=1S/C6H10OS/c1-2-5-8-6-4-7-3-1/h4,6H,1-3,5H2/b6-4-
InChIKeyUDQPQBCGMLAJHH-XQRVVYSFSA-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 (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine?
The IUPAC name of (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine (CID 58183637) is (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine.
What is the SMILES notation for (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine?
The canonical SMILES for (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine is C1=C\SCCCCO/1.
What is the InChIKey of (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine?
The InChIKey is UDQPQBCGMLAJHH-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-5-8-6-4-7-3-1/h4,6H,1-3,5H2/b6-4-.
What are the key properties of (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine?
(2Z)-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 (2Z)-5,6,7,8-tetrahydro-1,4-oxathiocine is sourced from PubChem (CID 58183637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).