6-methylsulfanyl-1,3-benzoxazine-2,4-dione

C9H7NO3S — CID 70015927

IUPAC6-methylsulfanyl-1,3-benzoxazine-2,4-dione
SMILESCSc1ccc2oc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C9H7NO3S/c1-14-5-2-3-7-6(4-5)8(11)10-9(12)13-7/h2-4H,1H3,(H,10,11,12)
InChIKeyRXJJXRZSUBTFKM-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.20
Rot. Bonds1

About 6-methylsulfanyl-1,3-benzoxazine-2,4-dione

6-methylsulfanyl-1,3-benzoxazine-2,4-dione (PubChem CID 70015927) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 6-methylsulfanyl-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-methylsulfanyl-1,3-benzoxazine-2,4-dione
PubChem CID70015927
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name6-methylsulfanyl-1,3-benzoxazine-2,4-dione
SMILESCSc1ccc2oc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C9H7NO3S/c1-14-5-2-3-7-6(4-5)8(11)10-9(12)13-7/h2-4H,1H3,(H,10,11,12)
InChIKeyRXJJXRZSUBTFKM-UHFFFAOYSA-N
XLogP1.20
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219
6-tert-butyl-1,3-benzoxazine-2,4-dione
CID 59410453
2-chloro-8-methylsulfanyldibenzofuran
CID 71336672
6-nitro-1,3-benzoxazine-2,4-dione;pyrimidine
CID 158966231
(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate
CID 165352900
[1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea
CID 91167256
6-[bromo-(4-methylsulfanylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 79206387
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
CID 15675947
6-(2-methoxyethylsulfanyl)-1H-3,1-benzoxazine-2,4-dione
CID 139667728
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1,3-benzoxazine-2,4-dione?
The IUPAC name of 6-methylsulfanyl-1,3-benzoxazine-2,4-dione (CID 70015927) is 6-methylsulfanyl-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 6-methylsulfanyl-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 6-methylsulfanyl-1,3-benzoxazine-2,4-dione is CSc1ccc2oc(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-methylsulfanyl-1,3-benzoxazine-2,4-dione?
The InChIKey is RXJJXRZSUBTFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-14-5-2-3-7-6(4-5)8(11)10-9(12)13-7/h2-4H,1H3,(H,10,11,12).
What are the key properties of 6-methylsulfanyl-1,3-benzoxazine-2,4-dione?
6-methylsulfanyl-1,3-benzoxazine-2,4-dione has a molecular weight of 209.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 70015927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).