1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol

C26H30S2Si2 — CID 11319972

IUPAC1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol
SMILESC[Si](C)(C)c1cc2ccccc2c(-c2c(S)c([Si](C)(C)C)cc3ccccc23)c1S
InChIInChI=1S/C26H30S2Si2/c1-29(2,3)21-15-17-11-7-9-13-19(17)23(25(21)27)24-20-14-10-8-12-18(20)16-22(26(24)28)30(4,5)6/h7-16,27-28H,1-6H3
InChIKeyNQCHTVIWYPODAH-UHFFFAOYSA-N
MW462.83 g/mol
LogP7.33
Rot. Bonds3

About 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol

1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol (PubChem CID 11319972) has the molecular formula C26H30S2Si2 and a molecular weight of 462.83 g/mol. Its IUPAC name is 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol.

Molecular Properties

Compound Name1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol
PubChem CID11319972
Molecular FormulaC26H30S2Si2
Molecular Weight462.83 g/mol
Exact Mass462.13
IUPAC Name1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol
SMILESC[Si](C)(C)c1cc2ccccc2c(-c2c(S)c([Si](C)(C)C)cc3ccccc23)c1S
InChIInChI=1S/C26H30S2Si2/c1-29(2,3)21-15-17-11-7-9-13-19(17)23(25(21)27)24-20-14-10-8-12-18(20)16-22(26(24)28)30(4,5)6/h7-16,27-28H,1-6H3
InChIKeyNQCHTVIWYPODAH-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.83
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol?
The IUPAC name of 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol (CID 11319972) is 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol.
What is the SMILES notation for 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol?
The canonical SMILES for 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol is C[Si](C)(C)c1cc2ccccc2c(-c2c(S)c([Si](C)(C)C)cc3ccccc23)c1S.
What is the InChIKey of 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol?
The InChIKey is NQCHTVIWYPODAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30S2Si2/c1-29(2,3)21-15-17-11-7-9-13-19(17)23(25(21)27)24-20-14-10-8-12-18(20)16-22(26(24)28)30(4,5)6/h7-16,27-28H,1-6H3.
What are the key properties of 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol?
1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol has a molecular weight of 462.83 g/mol, XLogP of 7.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanyl-3-trimethylsilylnaphthalen-1-yl)-3-trimethylsilylnaphthalene-2-thiol is sourced from PubChem (CID 11319972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).