ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol

C12H19NS — CID 143693566

IUPACethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol
SMILESCC.CC1Cc2cccnc2CC1S
InChIInChI=1S/C10H13NS.C2H6/c1-7-5-8-3-2-4-11-9(8)6-10(7)12;1-2/h2-4,7,10,12H,5-6H2,1H3;1-2H3
InChIKeyFFCFZGSLTZZZLY-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.14
Rot. Bonds

About ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol

ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol (PubChem CID 143693566) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol.

Molecular Properties

Compound Nameethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol
PubChem CID143693566
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Nameethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol
SMILESCC.CC1Cc2cccnc2CC1S
InChIInChI=1S/C10H13NS.C2H6/c1-7-5-8-3-2-4-11-9(8)6-10(7)12;1-2/h2-4,7,10,12H,5-6H2,1H3;1-2H3
InChIKeyFFCFZGSLTZZZLY-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol?
The IUPAC name of ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol (CID 143693566) is ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol.
What is the SMILES notation for ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol?
The canonical SMILES for ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol is CC.CC1Cc2cccnc2CC1S.
What is the InChIKey of ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol?
The InChIKey is FFCFZGSLTZZZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.C2H6/c1-7-5-8-3-2-4-11-9(8)6-10(7)12;1-2/h2-4,7,10,12H,5-6H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol?
ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol has a molecular weight of 209.36 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5,6,7,8-tetrahydroquinoline-7-thiol is sourced from PubChem (CID 143693566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).