6-bromo-2-phenylthiochromene-4-thione

C15H9BrS2 — CID 630581

IUPAC6-bromo-2-phenylthiochromene-4-thione
SMILESS=c1cc(-c2ccccc2)sc2ccc(Br)cc12
InChIInChI=1S/C15H9BrS2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyFVIRAQROXNHYMV-UHFFFAOYSA-N
MW333.28 g/mol
LogP6.06
Rot. Bonds1

About 6-bromo-2-phenylthiochromene-4-thione

6-bromo-2-phenylthiochromene-4-thione (PubChem CID 630581) has the molecular formula C15H9BrS2 and a molecular weight of 333.28 g/mol. Its IUPAC name is 6-bromo-2-phenylthiochromene-4-thione.

Molecular Properties

Compound Name6-bromo-2-phenylthiochromene-4-thione
PubChem CID630581
Molecular FormulaC15H9BrS2
Molecular Weight333.28 g/mol
Exact Mass331.93
IUPAC Name6-bromo-2-phenylthiochromene-4-thione
SMILESS=c1cc(-c2ccccc2)sc2ccc(Br)cc12
InChIInChI=1S/C15H9BrS2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyFVIRAQROXNHYMV-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2-phenylthiochromene-4-thione 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

Benzyl 4-bromophenyl sulfide
CID 4191541
2-bromo-9H-thioxanthene 10-oxide
CID 10565624
6-Bromo-4,4-dimethylthiochroman
CID 9816554
9H-Thioxanthene, 2-bromo-
CID 10660130
6-bromo-3,4-dihydro-2H-1-benzothiopyran
CID 19702076
7-Bromo-2,3,4,5-tetrahydro-1-benzothiepin
CID 19935454
1-bromo-4-[(E)-2-phenylethenyl]sulfanylbenzene
CID 5382427
1-Bromo-4-(2-phenylethylsulfanyl)benzene
CID 101961077
1-Bromo-4-[(4-methylphenyl)thio]benzene
CID 16753527
4-Bromo-2-ethenyl-1-propan-2-ylsulfanylbenzene
CID 89418851
1-Bromo-4-(2-(trifluoromethyl)phenylsulfanyl)-benzene
CID 86694956
1-Bromo-4-[2-(4-fluorophenyl)ethylsulfanyl]benzene
CID 124188636

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylthiochromene-4-thione?
The IUPAC name of 6-bromo-2-phenylthiochromene-4-thione (CID 630581) is 6-bromo-2-phenylthiochromene-4-thione.
What is the SMILES notation for 6-bromo-2-phenylthiochromene-4-thione?
The canonical SMILES for 6-bromo-2-phenylthiochromene-4-thione is S=c1cc(-c2ccccc2)sc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-phenylthiochromene-4-thione?
The InChIKey is FVIRAQROXNHYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrS2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-bromo-2-phenylthiochromene-4-thione?
6-bromo-2-phenylthiochromene-4-thione has a molecular weight of 333.28 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylthiochromene-4-thione is sourced from PubChem (CID 630581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).