(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol

C16H19NS — CID 82450476

IUPAC(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
SMILESCCc1ccc2nc3c(c(CS)c2c1)CCCC3
InChIInChI=1S/C16H19NS/c1-2-11-7-8-16-13(9-11)14(10-18)12-5-3-4-6-15(12)17-16/h7-9,18H,2-6,10H2,1H3
InChIKeyBIBOBBBBTZVUQN-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.11
Rot. Bonds2

About (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol

(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol (PubChem CID 82450476) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol.

Molecular Properties

Compound Name(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
PubChem CID82450476
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
SMILESCCc1ccc2nc3c(c(CS)c2c1)CCCC3
InChIInChI=1S/C16H19NS/c1-2-11-7-8-16-13(9-11)14(10-18)12-5-3-4-6-15(12)17-16/h7-9,18H,2-6,10H2,1H3
InChIKeyBIBOBBBBTZVUQN-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
CID 82450473
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82450438
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451346
(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451972
N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480907
9-chloro-7-propyl-1,2,3,4-tetrahydroacridine
CID 55188071
(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82451478
7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
CID 22367590
1-(8-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450491
1-(2,8-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450513
N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
CID 82451364
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol?
The IUPAC name of (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol (CID 82450476) is (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol.
What is the SMILES notation for (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol?
The canonical SMILES for (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol is CCc1ccc2nc3c(c(CS)c2c1)CCCC3.
What is the InChIKey of (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol?
The InChIKey is BIBOBBBBTZVUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-11-7-8-16-13(9-11)14(10-18)12-5-3-4-6-15(12)17-16/h7-9,18H,2-6,10H2,1H3.
What are the key properties of (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol?
(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol has a molecular weight of 257.40 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol is sourced from PubChem (CID 82450476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).