5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine

C5H9NOS — CID 11147735

IUPAC5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
SMILESCSC1=NCCOC1
InChIInChI=1S/C5H9NOS/c1-8-5-4-7-3-2-6-5/h2-4H2,1H3
InChIKeyGXQPVPNALQNROT-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.78
Rot. Bonds

About 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine

5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine (PubChem CID 11147735) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
PubChem CID11147735
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
SMILESCSC1=NCCOC1
InChIInChI=1S/C5H9NOS/c1-8-5-4-7-3-2-6-5/h2-4H2,1H3
InChIKeyGXQPVPNALQNROT-UHFFFAOYSA-N
XLogP0.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine (CID 11147735) is 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine is CSC1=NCCOC1.
What is the InChIKey of 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
The InChIKey is GXQPVPNALQNROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-8-5-4-7-3-2-6-5/h2-4H2,1H3.
What are the key properties of 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine?
5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine has a molecular weight of 131.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 11147735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).