trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane

C12H16NPSSi — CID 14148102

IUPACtrimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane
SMILESCc1ccccc1-c1nsc([Si](C)(C)C)p1
InChIInChI=1S/C12H16NPSSi/c1-9-7-5-6-8-10(9)11-13-15-12(14-11)16(2,3)4/h5-8H,1-4H3
InChIKeyBKBQWXURLPRFTI-UHFFFAOYSA-N
MW265.39 g/mol
LogP4.24
Rot. Bonds2

About trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane

trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane (PubChem CID 14148102) has the molecular formula C12H16NPSSi and a molecular weight of 265.39 g/mol. Its IUPAC name is trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane
PubChem CID14148102
Molecular FormulaC12H16NPSSi
Molecular Weight265.39 g/mol
Exact Mass265.05
IUPAC Nametrimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane
SMILESCc1ccccc1-c1nsc([Si](C)(C)C)p1
InChIInChI=1S/C12H16NPSSi/c1-9-7-5-6-8-10(9)11-13-15-12(14-11)16(2,3)4/h5-8H,1-4H3
InChIKeyBKBQWXURLPRFTI-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Diphenyl-1,2,4-thiazaphosphole
CID 14148104
3-Phenyl-5-trimethylsilanyl-[1,2,4]thiazaphosphole
CID 14148101
5-Tert-butyl-3-phenyl-1,2,4-thiazaphosphole
CID 5325068
Trimethyl-[3-(4-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane
CID 14148103
5-(2-Methylphenyl)-1,2,3,4-thiatriazole
CID 15121692

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane?
The IUPAC name of trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane (CID 14148102) is trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane.
What is the SMILES notation for trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane?
The canonical SMILES for trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane is Cc1ccccc1-c1nsc([Si](C)(C)C)p1.
What is the InChIKey of trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane?
The InChIKey is BKBQWXURLPRFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NPSSi/c1-9-7-5-6-8-10(9)11-13-15-12(14-11)16(2,3)4/h5-8H,1-4H3.
What are the key properties of trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane?
trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane has a molecular weight of 265.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane is sourced from PubChem (CID 14148102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).