5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione

C10H10N4S2 — CID 23412179

IUPAC5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
SMILESCSc1cccc(Nc2cn[nH]c(=S)n2)c1
InChIInChI=1S/C10H10N4S2/c1-16-8-4-2-3-7(5-8)12-9-6-11-14-10(15)13-9/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyUZEXSLRKTDJVEZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.00
Rot. Bonds3

About 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione

5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione (PubChem CID 23412179) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione.

Molecular Properties

Compound Name5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
PubChem CID23412179
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
SMILESCSc1cccc(Nc2cn[nH]c(=S)n2)c1
InChIInChI=1S/C10H10N4S2/c1-16-8-4-2-3-7(5-8)12-9-6-11-14-10(15)13-9/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyUZEXSLRKTDJVEZ-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

methyl 3-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoate
CID 23412186
5-(naphthalen-2-ylamino)-2H-1,2,4-triazine-3-thione
CID 23412155
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80544469
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 106555444
N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 59506846
6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969003
3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
CID 136779338
6-(2-bromophenyl)-N-(3-methylsulfanylphenyl)pyridin-2-amine
CID 69038540
4-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63105759
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione?
The IUPAC name of 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione (CID 23412179) is 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione.
What is the SMILES notation for 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione?
The canonical SMILES for 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione is CSc1cccc(Nc2cn[nH]c(=S)n2)c1.
What is the InChIKey of 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione?
The InChIKey is UZEXSLRKTDJVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-16-8-4-2-3-7(5-8)12-9-6-11-14-10(15)13-9/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione?
5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-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 5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione is sourced from PubChem (CID 23412179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).