(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol

C13H11Cl2NS — CID 82451652

IUPAC(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
SMILESSCc1c2c(nc3cc(Cl)cc(Cl)c13)CCC2
InChIInChI=1S/C13H11Cl2NS/c14-7-4-10(15)13-9(6-17)8-2-1-3-11(8)16-12(13)5-7/h4-5,17H,1-3,6H2
InChIKeyIXQJEAFFKOJSSI-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.46
Rot. Bonds1

About (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol

(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol (PubChem CID 82451652) has the molecular formula C13H11Cl2NS and a molecular weight of 284.21 g/mol. Its IUPAC name is (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol.

Molecular Properties

Compound Name(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
PubChem CID82451652
Molecular FormulaC13H11Cl2NS
Molecular Weight284.21 g/mol
Exact Mass283.00
IUPAC Name(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
SMILESSCc1c2c(nc3cc(Cl)cc(Cl)c13)CCC2
InChIInChI=1S/C13H11Cl2NS/c14-7-4-10(15)13-9(6-17)8-2-1-3-11(8)16-12(13)5-7/h4-5,17H,1-3,6H2
InChIKeyIXQJEAFFKOJSSI-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol with MolForge

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Related Compounds

2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451651
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451346
N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
CID 69189756
9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381881
(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451972
(7,9-dichloro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473710
(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
CID 82450476
5,7-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202722
N-[(5,7-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-2-amine
CID 82451593
6,8-dichloro-1,2,3,4-tetrahydroacridine
CID 151486682
(8-chloro-6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 107370632
2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480718

Frequently Asked Questions

What is the IUPAC name of (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The IUPAC name of (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol (CID 82451652) is (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol.
What is the SMILES notation for (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The canonical SMILES for (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol is SCc1c2c(nc3cc(Cl)cc(Cl)c13)CCC2.
What is the InChIKey of (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The InChIKey is IXQJEAFFKOJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NS/c14-7-4-10(15)13-9(6-17)8-2-1-3-11(8)16-12(13)5-7/h4-5,17H,1-3,6H2.
What are the key properties of (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol has a molecular weight of 284.21 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol is sourced from PubChem (CID 82451652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).