3-bromo-4-methyl-10H-acridine-9-thione

C14H10BrNS — CID 118352674

IUPAC3-bromo-4-methyl-10H-acridine-9-thione
SMILESCc1c(Br)ccc2c(=S)c3ccccc3[nH]c12
InChIInChI=1S/C14H10BrNS/c1-8-11(15)7-6-10-13(8)16-12-5-3-2-4-9(12)14(10)17/h2-7H,1H3,(H,16,17)
InChIKeyLWCTYYSGUUASRC-UHFFFAOYSA-N
MW304.21 g/mol
LogP5.12
Rot. Bonds

About 3-bromo-4-methyl-10H-acridine-9-thione

3-bromo-4-methyl-10H-acridine-9-thione (PubChem CID 118352674) has the molecular formula C14H10BrNS and a molecular weight of 304.21 g/mol. Its IUPAC name is 3-bromo-4-methyl-10H-acridine-9-thione.

Molecular Properties

Compound Name3-bromo-4-methyl-10H-acridine-9-thione
PubChem CID118352674
Molecular FormulaC14H10BrNS
Molecular Weight304.21 g/mol
Exact Mass302.97
IUPAC Name3-bromo-4-methyl-10H-acridine-9-thione
SMILESCc1c(Br)ccc2c(=S)c3ccccc3[nH]c12
InChIInChI=1S/C14H10BrNS/c1-8-11(15)7-6-10-13(8)16-12-5-3-2-4-9(12)14(10)17/h2-7H,1H3,(H,16,17)
InChIKeyLWCTYYSGUUASRC-UHFFFAOYSA-N
XLogP5.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.21
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2,3,7-trimethyl-1H-indole
CID 130050197
azane;1,2-dimethyl-9H-carbazole
CID 174760951
2-chloro-1-methyl-9H-carbazole
CID 154342995
7-bromo-3-iodo-2,8-dimethyl-1H-quinolin-4-one
CID 121237111
3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
CID 142290502
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
bromomethane;9H-carbazole
CID 67594562
3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one
CID 71519236
1-methyl-N-phenyl-9H-carbazol-2-amine
CID 178015352
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
2,3-dimethyl-10H-thieno[2,3-a]carbazole
CID 144848398
1-bromo-4-phenyl-9H-carbazole
CID 152676128

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-10H-acridine-9-thione?
The IUPAC name of 3-bromo-4-methyl-10H-acridine-9-thione (CID 118352674) is 3-bromo-4-methyl-10H-acridine-9-thione.
What is the SMILES notation for 3-bromo-4-methyl-10H-acridine-9-thione?
The canonical SMILES for 3-bromo-4-methyl-10H-acridine-9-thione is Cc1c(Br)ccc2c(=S)c3ccccc3[nH]c12.
What is the InChIKey of 3-bromo-4-methyl-10H-acridine-9-thione?
The InChIKey is LWCTYYSGUUASRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNS/c1-8-11(15)7-6-10-13(8)16-12-5-3-2-4-9(12)14(10)17/h2-7H,1H3,(H,16,17).
What are the key properties of 3-bromo-4-methyl-10H-acridine-9-thione?
3-bromo-4-methyl-10H-acridine-9-thione has a molecular weight of 304.21 g/mol, XLogP of 5.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-10H-acridine-9-thione is sourced from PubChem (CID 118352674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).