4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)

C28H22F6N2PtS2 — CID 58401264

IUPAC4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)
SMILESCSc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CS)ccn2)[c-]c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/2C14H11F3NS.Pt/c1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;/h3-4,6-8H,1-2H3;2-6,19H,8H2,1H3;/q2*-1;+2
InChIKeyNIMGIMTWLSGLMR-UHFFFAOYSA-N
MW759.70 g/mol
LogP8.90
Rot. Bonds4

About 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)

4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+) (PubChem CID 58401264) has the molecular formula C28H22F6N2PtS2 and a molecular weight of 759.70 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+).

Molecular Properties

Compound Name4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)
PubChem CID58401264
Molecular FormulaC28H22F6N2PtS2
Molecular Weight759.70 g/mol
Exact Mass759.08
IUPAC Name4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)
SMILESCSc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CS)ccn2)[c-]c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/2C14H11F3NS.Pt/c1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;/h3-4,6-8H,1-2H3;2-6,19H,8H2,1H3;/q2*-1;+2
InChIKeyNIMGIMTWLSGLMR-UHFFFAOYSA-N
XLogP8.90
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.70
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+) with MolForge

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Related Compounds

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CID 102108113
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4-Methylsulfanyl-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridine
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2-[[2-(Trifluoromethyl)phenyl]sulfanylmethyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)?
The IUPAC name of 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+) (CID 58401264) is 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+).
What is the SMILES notation for 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)?
The canonical SMILES for 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+) is CSc1ccnc(-c2[c-]c(C)cc(C(F)(F)F)c2)c1.Cc1cc(-c2cc(CS)ccn2)[c-]c(C(F)(F)F)c1.[Pt+2].
What is the InChIKey of 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)?
The InChIKey is NIMGIMTWLSGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11F3NS.Pt/c1-9-5-10(7-11(6-9)14(15,16)17)13-8-12(19-2)3-4-18-13;1-9-4-11(7-12(5-9)14(15,16)17)13-6-10(8-19)2-3-18-13;/h3-4,6-8H,1-2H3;2-6,19H,8H2,1H3;/q2*-1;+2.
What are the key properties of 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+)?
4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+) has a molecular weight of 759.70 g/mol, XLogP of 8.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanethiol;platinum(2+) is sourced from PubChem (CID 58401264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).