9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde

C14H13NOS — CID 134556464

IUPAC9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde
SMILESO=Cc1ccc2[nH]c3c(c(=S)c2c1)CCCC3
InChIInChI=1S/C14H13NOS/c16-8-9-5-6-13-11(7-9)14(17)10-3-1-2-4-12(10)15-13/h5-8H,1-4H2,(H,15,17)
InChIKeyUQCMPEPUEYYTHM-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.59
Rot. Bonds1

About 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde

9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde (PubChem CID 134556464) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde.

Molecular Properties

Compound Name9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde
PubChem CID134556464
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde
SMILESO=Cc1ccc2[nH]c3c(c(=S)c2c1)CCCC3
InChIInChI=1S/C14H13NOS/c16-8-9-5-6-13-11(7-9)14(17)10-3-1-2-4-12(10)15-13/h5-8H,1-4H2,(H,15,17)
InChIKeyUQCMPEPUEYYTHM-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)prop-2-ene-1-thiol
CID 169456122
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde
CID 146605589
5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridine-9-carbaldehyde
CID 88906133
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891
6,7-dimethyl-9H-carbazole-3-carbaldehyde
CID 12733102
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 23559459
1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
CID 117325794
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337611

Frequently Asked Questions

What is the IUPAC name of 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde?
The IUPAC name of 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde (CID 134556464) is 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde.
What is the SMILES notation for 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde?
The canonical SMILES for 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde is O=Cc1ccc2[nH]c3c(c(=S)c2c1)CCCC3.
What is the InChIKey of 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde?
The InChIKey is UQCMPEPUEYYTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-8-9-5-6-13-11(7-9)14(17)10-3-1-2-4-12(10)15-13/h5-8H,1-4H2,(H,15,17).
What are the key properties of 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde?
9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde has a molecular weight of 243.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde is sourced from PubChem (CID 134556464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).