7-propan-2-ylsulfanylquinoline

C12H13NS — CID 89470395

IUPAC7-propan-2-ylsulfanylquinoline
SMILESCC(C)Sc1ccc2cccnc2c1
InChIInChI=1S/C12H13NS/c1-9(2)14-11-6-5-10-4-3-7-13-12(10)8-11/h3-9H,1-2H3
InChIKeyOMBKYAXEFMJEPE-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.74
Rot. Bonds2

About 7-propan-2-ylsulfanylquinoline

7-propan-2-ylsulfanylquinoline (PubChem CID 89470395) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 7-propan-2-ylsulfanylquinoline.

Molecular Properties

Compound Name7-propan-2-ylsulfanylquinoline
PubChem CID89470395
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name7-propan-2-ylsulfanylquinoline
SMILESCC(C)Sc1ccc2cccnc2c1
InChIInChI=1S/C12H13NS/c1-9(2)14-11-6-5-10-4-3-7-13-12(10)8-11/h3-9H,1-2H3
InChIKeyOMBKYAXEFMJEPE-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoline
CID 7047
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
3-Methylquinoline
CID 11926
Quinolinium, 1-ethyl-, iodide (1:1)
CID 69446
(Isobutyl)quinoline
CID 74005
Quinoline, 8-ethyl-
CID 88185
3-(3-Thienyl)quinoline
CID 10242258
Isopropylquinoline (mixed isomers)
CID 74004
4-Butylquinoline
CID 14641784
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylsulfanylquinoline?
The IUPAC name of 7-propan-2-ylsulfanylquinoline (CID 89470395) is 7-propan-2-ylsulfanylquinoline.
What is the SMILES notation for 7-propan-2-ylsulfanylquinoline?
The canonical SMILES for 7-propan-2-ylsulfanylquinoline is CC(C)Sc1ccc2cccnc2c1.
What is the InChIKey of 7-propan-2-ylsulfanylquinoline?
The InChIKey is OMBKYAXEFMJEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9(2)14-11-6-5-10-4-3-7-13-12(10)8-11/h3-9H,1-2H3.
What are the key properties of 7-propan-2-ylsulfanylquinoline?
7-propan-2-ylsulfanylquinoline has a molecular weight of 203.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylsulfanylquinoline is sourced from PubChem (CID 89470395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).