2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)

C32H32N2O4PtS2 — CID 58401839

IUPAC2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)
SMILESC#COc1cc(OCC)c[c-]c1-c1cc(CS)ccn1.CCOc1c[c-]c(-c2cc(SC)ccn2)c(OCC)c1.[Pt+2]
InChIInChI=1S/C16H18NO2S.C16H14NO2S.Pt/c1-4-18-12-6-7-14(16(10-12)19-5-2)15-11-13(20-3)8-9-17-15;1-3-18-13-5-6-14(16(10-13)19-4-2)15-9-12(11-20)7-8-17-15;/h6,8-11H,4-5H2,1-3H3;2,5,7-10,20H,3,11H2,1H3;/q2*-1;+2
InChIKeyFAZNVNYQJRJUFM-UHFFFAOYSA-N
MW767.83 g/mol
LogP7.41
Rot. Bonds11

About 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)

2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+) (PubChem CID 58401839) has the molecular formula C32H32N2O4PtS2 and a molecular weight of 767.83 g/mol. Its IUPAC name is 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+).

Molecular Properties

Compound Name2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)
PubChem CID58401839
Molecular FormulaC32H32N2O4PtS2
Molecular Weight767.83 g/mol
Exact Mass767.15
IUPAC Name2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)
SMILESC#COc1cc(OCC)c[c-]c1-c1cc(CS)ccn1.CCOc1c[c-]c(-c2cc(SC)ccn2)c(OCC)c1.[Pt+2]
InChIInChI=1S/C16H18NO2S.C16H14NO2S.Pt/c1-4-18-12-6-7-14(16(10-12)19-5-2)15-11-13(20-3)8-9-17-15;1-3-18-13-5-6-14(16(10-13)19-4-2)15-9-12(11-20)7-8-17-15;/h6,8-11H,4-5H2,1-3H3;2,5,7-10,20H,3,11H2,1H3;/q2*-1;+2
InChIKeyFAZNVNYQJRJUFM-UHFFFAOYSA-N
XLogP7.41
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.83
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-diethoxybenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine);2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);4-methoxy-2-(2-methoxybenzene-6-id-1-yl)pyridine;4-methoxy-2-(2-methylbenzene-6-id-1-yl)pyridine;molecular hydrogen;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
CID 160675520
iridium;[5-methoxy-2-[4-(sulfanylmethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;1-phenylisoquinoline
CID 58401898
(3-ethoxyphenyl)methanethiol
CID 79885244
2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]-4-methylpyridine;2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-methylpyridine;platinum
CID 159099819
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
2-ethoxy-5-methylsulfanylaniline
CID 97035048
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
[2-(2,4-dimethylphenyl)-4-pyridinyl]methanethiol
CID 58401383
1-(2-chloro-4-pyridinyl)-3-sulfanylpropan-2-one;1-(2,5-diethoxyphenyl)-3-sulfanylpropan-2-one
CID 123906294
N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 828986
4-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)-2-pyridinyl]pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;iridium
CID 58162269
2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)?
The IUPAC name of 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+) (CID 58401839) is 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+).
What is the SMILES notation for 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)?
The canonical SMILES for 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+) is C#COc1cc(OCC)c[c-]c1-c1cc(CS)ccn1.CCOc1c[c-]c(-c2cc(SC)ccn2)c(OCC)c1.[Pt+2].
What is the InChIKey of 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)?
The InChIKey is FAZNVNYQJRJUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2S.C16H14NO2S.Pt/c1-4-18-12-6-7-14(16(10-12)19-5-2)15-11-13(20-3)8-9-17-15;1-3-18-13-5-6-14(16(10-13)19-4-2)15-9-12(11-20)7-8-17-15;/h6,8-11H,4-5H2,1-3H3;2,5,7-10,20H,3,11H2,1H3;/q2*-1;+2.
What are the key properties of 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+)?
2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+) has a molecular weight of 767.83 g/mol, XLogP of 7.41, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylsulfanylpyridine;[2-(4-ethoxy-2-ethynoxybenzene-6-id-1-yl)-4-pyridinyl]methanethiol;platinum(2+) is sourced from PubChem (CID 58401839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).