3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one

C12H10ClNO2S — CID 15641965

IUPAC3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(SCc2ccccc2)nc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-8-10(13)14-11(12(15)16-8)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyYWJQPZBFZZGDAI-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.29
Rot. Bonds3

About 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one

3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one (PubChem CID 15641965) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one
PubChem CID15641965
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one
SMILESCc1oc(=O)c(SCc2ccccc2)nc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-8-10(13)14-11(12(15)16-8)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyYWJQPZBFZZGDAI-UHFFFAOYSA-N
XLogP3.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-6-methyl-3-phenylsulfanyl-1,4-oxazin-2-one
CID 11242231
3-Benzylsulfinyl-5-chloro-6-methyl-1,4-oxazin-2-one
CID 21729301
3-Benzylsulfonyl-5-chloro-6-methyl-1,4-oxazin-2-one
CID 21729302
1-(1-Phenylethyl)-1,3-thiazol-1-ium-2-carboxylate
CID 172766366

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one?
The IUPAC name of 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one (CID 15641965) is 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one.
What is the SMILES notation for 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one?
The canonical SMILES for 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one is Cc1oc(=O)c(SCc2ccccc2)nc1Cl.
What is the InChIKey of 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one?
The InChIKey is YWJQPZBFZZGDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-8-10(13)14-11(12(15)16-8)17-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one?
3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one has a molecular weight of 267.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-5-chloro-6-methyl-1,4-oxazin-2-one is sourced from PubChem (CID 15641965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).