6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione

C18H14N8S4 — CID 57053866

IUPAC6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione
SMILESS=c1nc(SSc2nc(Nc3ccccc3)[nH]c(=S)n2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C18H14N8S4/c27-15-21-13(19-11-7-3-1-4-8-11)23-17(25-15)29-30-18-24-14(22-16(28)26-18)20-12-9-5-2-6-10-12/h1-10H,(H2,19,21,23,25,27)(H2,20,22,24,26,28)
InChIKeyOZYFUHUBNMJTSL-UHFFFAOYSA-N
MW470.63 g/mol
LogP5.67
Rot. Bonds7

About 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione

6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione (PubChem CID 57053866) has the molecular formula C18H14N8S4 and a molecular weight of 470.63 g/mol. Its IUPAC name is 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione.

Molecular Properties

Compound Name6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione
PubChem CID57053866
Molecular FormulaC18H14N8S4
Molecular Weight470.63 g/mol
Exact Mass470.02
IUPAC Name6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione
SMILESS=c1nc(SSc2nc(Nc3ccccc3)[nH]c(=S)n2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C18H14N8S4/c27-15-21-13(19-11-7-3-1-4-8-11)23-17(25-15)29-30-18-24-14(22-16(28)26-18)20-12-9-5-2-6-10-12/h1-10H,(H2,19,21,23,25,27)(H2,20,22,24,26,28)
InChIKeyOZYFUHUBNMJTSL-UHFFFAOYSA-N
XLogP5.67
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.63
LogP ≤ 55.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-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

6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione
CID 146408285
2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione
CID 102439735
2-[(4-anilinoquinazolin-2-yl)disulfanyl]-N-phenylquinazolin-4-amine
CID 12994963
2-anilino-4-tert-butyl-5-iodo-1H-pyrimidin-6-one
CID 136773780
6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione
CID 54351185
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
5-anilino-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412289
2-anilino-4-cyclopropyl-1H-pyrimidin-6-one
CID 135812631
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
CID 13199460
5-methoxy-N-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
CID 141189251
azane;N-phenylaniline
CID 67074378

Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione?
The IUPAC name of 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione (CID 57053866) is 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione.
What is the SMILES notation for 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione?
The canonical SMILES for 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione is S=c1nc(SSc2nc(Nc3ccccc3)[nH]c(=S)n2)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione?
The InChIKey is OZYFUHUBNMJTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8S4/c27-15-21-13(19-11-7-3-1-4-8-11)23-17(25-15)29-30-18-24-14(22-16(28)26-18)20-12-9-5-2-6-10-12/h1-10H,(H2,19,21,23,25,27)(H2,20,22,24,26,28).
What are the key properties of 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione?
6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione has a molecular weight of 470.63 g/mol, XLogP of 5.67, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione is sourced from PubChem (CID 57053866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).