6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione

C10H10N4S2 — CID 146408285

IUPAC6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione
SMILESCSc1nc(Nc2ccccc2)[nH]c(=S)n1
InChIInChI=1S/C10H10N4S2/c1-16-10-13-8(12-9(15)14-10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyYOGYMWYTPGYZGH-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.00
Rot. Bonds3

About 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione

6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione (PubChem CID 146408285) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione.

Molecular Properties

Compound Name6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione
PubChem CID146408285
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione
SMILESCSc1nc(Nc2ccccc2)[nH]c(=S)n1
InChIInChI=1S/C10H10N4S2/c1-16-10-13-8(12-9(15)14-10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyYOGYMWYTPGYZGH-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-anilino-4-[(2-anilino-6-sulfanylidene-1H-1,3,5-triazin-4-yl)disulfanyl]-1H-1,3,5-triazine-2-thione
CID 57053866
2-anilino-6-(dimethylamino)-1H-1,3,5-triazine-4-thione
CID 102439735
2-anilino-4-tert-butyl-5-iodo-1H-pyrimidin-6-one
CID 136773780
5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
CID 14461172
6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione
CID 54351185
2-anilino-5-bromo-4-ethyl-1H-pyrimidin-6-one
CID 136951885
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine
CID 155805691
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337
4-methylsulfanyl-6-(sulfanylmethyl)-1H-1,3,5-triazine-2-thione
CID 137491945
5-anilino-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412289
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205

Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione?
The IUPAC name of 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione (CID 146408285) is 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione.
What is the SMILES notation for 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione?
The canonical SMILES for 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione is CSc1nc(Nc2ccccc2)[nH]c(=S)n1.
What is the InChIKey of 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione?
The InChIKey is YOGYMWYTPGYZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-16-10-13-8(12-9(15)14-10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione?
6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione has a molecular weight of 250.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione is sourced from PubChem (CID 146408285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).