4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol

C11H9AgF3O2S2 — CID 174933334

IUPAC4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol
SMILESCc1c(S)c(=O)oc2ccccc12.FC(F)(F)S.[Ag]
InChIInChI=1S/C10H8O2S.CHF3S.Ag/c1-6-7-4-2-3-5-8(7)12-10(11)9(6)13;2-1(3,4)5;/h2-5,13H,1H3;5H;
InChIKeyZFYWIZHDJNNSNI-UHFFFAOYSA-N
MW402.19 g/mol
LogP3.82
Rot. Bonds

About 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol

4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol (PubChem CID 174933334) has the molecular formula C11H9AgF3O2S2 and a molecular weight of 402.19 g/mol. Its IUPAC name is 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol.

Molecular Properties

Compound Name4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol
PubChem CID174933334
Molecular FormulaC11H9AgF3O2S2
Molecular Weight402.19 g/mol
Exact Mass400.90
IUPAC Name4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol
SMILESCc1c(S)c(=O)oc2ccccc12.FC(F)(F)S.[Ag]
InChIInChI=1S/C10H8O2S.CHF3S.Ag/c1-6-7-4-2-3-5-8(7)12-10(11)9(6)13;2-1(3,4)5;/h2-5,13H,1H3;5H;
InChIKeyZFYWIZHDJNNSNI-UHFFFAOYSA-N
XLogP3.82
TPSA30.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.19
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 54676635
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CID 87273287
2-fluoro-3-methyl-1-benzofuran
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4-methyl-3-(2-methylpropyl)chromen-2-one
CID 170712354
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
3-(methoxymethoxy)-4-methylchromen-2-one
CID 90835819
2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
3-chloro-4-(trifluoromethyl)chromen-2-one
CID 162534474
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
3-methyl-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 174597785

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol?
The IUPAC name of 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol (CID 174933334) is 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol.
What is the SMILES notation for 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol?
The canonical SMILES for 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol is Cc1c(S)c(=O)oc2ccccc12.FC(F)(F)S.[Ag].
What is the InChIKey of 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol?
The InChIKey is ZFYWIZHDJNNSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S.CHF3S.Ag/c1-6-7-4-2-3-5-8(7)12-10(11)9(6)13;2-1(3,4)5;/h2-5,13H,1H3;5H;.
What are the key properties of 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol?
4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol has a molecular weight of 402.19 g/mol, XLogP of 3.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-sulfanylchromen-2-one;silver;trifluoromethanethiol is sourced from PubChem (CID 174933334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).