8-methylsulfinylquinoline;hydrate

C10H11NO2S — CID 143541926

IUPAC8-methylsulfinylquinoline;hydrate
SMILESCS(=O)c1cccc2cccnc12.O
InChIInChI=1S/C10H9NOS.H2O/c1-13(12)9-6-2-4-8-5-3-7-11-10(8)9;/h2-7H,1H3;1H2
InChIKeyWOLADLKYVUGCDN-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.15
Rot. Bonds1

About 8-methylsulfinylquinoline;hydrate

8-methylsulfinylquinoline;hydrate (PubChem CID 143541926) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 8-methylsulfinylquinoline;hydrate.

Molecular Properties

Compound Name8-methylsulfinylquinoline;hydrate
PubChem CID143541926
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name8-methylsulfinylquinoline;hydrate
SMILESCS(=O)c1cccc2cccnc12.O
InChIInChI=1S/C10H9NOS.H2O/c1-13(12)9-6-2-4-8-5-3-7-11-10(8)9;/h2-7H,1H3;1H2
InChIKeyWOLADLKYVUGCDN-UHFFFAOYSA-N
XLogP1.15
TPSA61.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methylsulfinylmethane;1,10-phenanthroline;trichlororuthenium
CID 11454092
8-[(R)-benzylsulfinyl]quinoline
CID 95559201
5-methylsulfinylquinolin-8-amine
CID 164876860
cyclohexane-1,3,5-triamine;methylsulfinylmethane;1,10-phenanthroline;ruthenium(2+);dichloride
CID 71532930
methanol;quinolin-8-ol
CID 161490698
1,6-naphthyridine-8-sulfinic acid
CID 67246302
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfinylquinoline;hydrate?
The IUPAC name of 8-methylsulfinylquinoline;hydrate (CID 143541926) is 8-methylsulfinylquinoline;hydrate.
What is the SMILES notation for 8-methylsulfinylquinoline;hydrate?
The canonical SMILES for 8-methylsulfinylquinoline;hydrate is CS(=O)c1cccc2cccnc12.O.
What is the InChIKey of 8-methylsulfinylquinoline;hydrate?
The InChIKey is WOLADLKYVUGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS.H2O/c1-13(12)9-6-2-4-8-5-3-7-11-10(8)9;/h2-7H,1H3;1H2.
What are the key properties of 8-methylsulfinylquinoline;hydrate?
8-methylsulfinylquinoline;hydrate has a molecular weight of 209.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfinylquinoline;hydrate is sourced from PubChem (CID 143541926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).