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

C11H13NOS — CID 134972324

IUPAC2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(CSC2=NCCCO2)cc1
InChIInChI=1S/C11H13NOS/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2
InChIKeyMYISHPWZTHJVMC-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.70
Rot. Bonds2

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

2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 134972324) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID134972324
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(CSC2=NCCCO2)cc1
InChIInChI=1S/C11H13NOS/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2
InChIKeyMYISHPWZTHJVMC-UHFFFAOYSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzylthio-2-thiazoline
CID 275677
6H-1,3,5-Oxathiazine, 4-(4-methylphenyl)-
CID 204087
6H-1,3,5-Oxathiazine, 4-phenyl-
CID 204089
6H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-
CID 3042018
2-Phenyl-5,6-dihydro-4h-1,3-thiazine
CID 241006
2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine
CID 14287769
2,6-ditert-butyl-4-phenyl-6H-1,3,5-oxathiazine
CID 85995654
2-benzylsulfanyl-4H-1,3-thiazol-5-one
CID 10105003
2-Benzylsulfanyl-4,5-dihydro-1,3-oxazole
CID 14269241
2-Benzylsulfanyl-5-methoxy-4,5-dihydro-1,3-thiazole
CID 15156774
Hydroxyphenyl-thiazoline
CID 129830028
2-Benzyl-5,6-dihydro-4h-1,3-thiazine
CID 249379

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine (CID 134972324) is 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine is c1ccc(CSC2=NCCCO2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is MYISHPWZTHJVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2.
What are the key properties of 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine?
2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 207.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 134972324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).