(10S)-1-methylphenoxathiine 10-oxide

C13H10O2S — CID 10847058

IUPAC(10S)-1-methylphenoxathiine 10-oxide
SMILESCc1cccc2c1[S@@](=O)c1ccccc1O2
InChIInChI=1S/C13H10O2S/c1-9-5-4-7-11-13(9)16(14)12-8-3-2-6-10(12)15-11/h2-8H,1H3/t16-/m0/s1
InChIKeyLUEZHHVAYCCXKH-INIZCTEOSA-N
MW230.29 g/mol
LogP3.27
Rot. Bonds

About (10S)-1-methylphenoxathiine 10-oxide

(10S)-1-methylphenoxathiine 10-oxide (PubChem CID 10847058) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is (10S)-1-methylphenoxathiine 10-oxide.

Molecular Properties

Compound Name(10S)-1-methylphenoxathiine 10-oxide
PubChem CID10847058
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name(10S)-1-methylphenoxathiine 10-oxide
SMILESCc1cccc2c1[S@@](=O)c1ccccc1O2
InChIInChI=1S/C13H10O2S/c1-9-5-4-7-11-13(9)16(14)12-8-3-2-6-10(12)15-11/h2-8H,1H3/t16-/m0/s1
InChIKeyLUEZHHVAYCCXKH-INIZCTEOSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10S)-1-methylphenoxathiine 10-oxide?
The IUPAC name of (10S)-1-methylphenoxathiine 10-oxide (CID 10847058) is (10S)-1-methylphenoxathiine 10-oxide.
What is the SMILES notation for (10S)-1-methylphenoxathiine 10-oxide?
The canonical SMILES for (10S)-1-methylphenoxathiine 10-oxide is Cc1cccc2c1[S@@](=O)c1ccccc1O2.
What is the InChIKey of (10S)-1-methylphenoxathiine 10-oxide?
The InChIKey is LUEZHHVAYCCXKH-INIZCTEOSA-N. The full InChI is InChI=1S/C13H10O2S/c1-9-5-4-7-11-13(9)16(14)12-8-3-2-6-10(12)15-11/h2-8H,1H3/t16-/m0/s1.
What are the key properties of (10S)-1-methylphenoxathiine 10-oxide?
(10S)-1-methylphenoxathiine 10-oxide has a molecular weight of 230.29 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-1-methylphenoxathiine 10-oxide is sourced from PubChem (CID 10847058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).