ethane;2-methylsulfanylquinoline

C12H15NS — CID 123701465

IUPACethane;2-methylsulfanylquinoline
SMILESCC.CSc1ccc2ccccc2n1
InChIInChI=1S/C10H9NS.C2H6/c1-12-10-7-6-8-4-2-3-5-9(8)11-10;1-2/h2-7H,1H3;1-2H3
InChIKeyUNDOAWYRUPRNJU-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.98
Rot. Bonds1

About ethane;2-methylsulfanylquinoline

ethane;2-methylsulfanylquinoline (PubChem CID 123701465) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is ethane;2-methylsulfanylquinoline.

Molecular Properties

Compound Nameethane;2-methylsulfanylquinoline
PubChem CID123701465
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Nameethane;2-methylsulfanylquinoline
SMILESCC.CSc1ccc2ccccc2n1
InChIInChI=1S/C10H9NS.C2H6/c1-12-10-7-6-8-4-2-3-5-9(8)11-10;1-2/h2-7H,1H3;1-2H3
InChIKeyUNDOAWYRUPRNJU-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;2-methylquinoline
CID 144748871
2-methylquinoline;naphthalene;hydrochloride
CID 175029103
2-benzhydrylsulfanylquinoline
CID 39765800
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
2-(2-phenylethenylsulfanyl)quinoline
CID 4204565
2-[tris(methylsulfanyl)methyl]quinoline
CID 23583859
2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
CID 135186490
2-pyridazin-3-ylsulfanylquinoline
CID 150538693
acridine;ethane
CID 123684759
2-fluoroquinoline;methane
CID 156751124
dichloroplatinum;bis(2-methylquinoline)
CID 50909727
ethane;2-propan-2-ylquinoline
CID 142538504

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylsulfanylquinoline?
The IUPAC name of ethane;2-methylsulfanylquinoline (CID 123701465) is ethane;2-methylsulfanylquinoline.
What is the SMILES notation for ethane;2-methylsulfanylquinoline?
The canonical SMILES for ethane;2-methylsulfanylquinoline is CC.CSc1ccc2ccccc2n1.
What is the InChIKey of ethane;2-methylsulfanylquinoline?
The InChIKey is UNDOAWYRUPRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.C2H6/c1-12-10-7-6-8-4-2-3-5-9(8)11-10;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;2-methylsulfanylquinoline?
ethane;2-methylsulfanylquinoline has a molecular weight of 205.33 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylsulfanylquinoline is sourced from PubChem (CID 123701465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).