trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane

C9H12F3NSSi — CID 640487

IUPACtrimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
SMILESC[Si](C)(C)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3NSSi/c1-15(2,3)14-8-5-4-7(6-13-8)9(10,11)12/h4-6H,1-3H3
InChIKeyNFTGOXVFNMUCQY-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.03
Rot. Bonds2

About trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane

trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane (PubChem CID 640487) has the molecular formula C9H12F3NSSi and a molecular weight of 251.35 g/mol. Its IUPAC name is trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane.

Molecular Properties

Compound Nametrimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
PubChem CID640487
Molecular FormulaC9H12F3NSSi
Molecular Weight251.35 g/mol
Exact Mass251.04
IUPAC Nametrimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
SMILESC[Si](C)(C)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3NSSi/c1-15(2,3)14-8-5-4-7(6-13-8)9(10,11)12/h4-6H,1-3H3
InChIKeyNFTGOXVFNMUCQY-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.03
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

2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
3-amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol
CID 114370116
2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 64806386
S-[5-(trifluoromethyl)-2-pyridinyl] 4-(trifluoromethyl)benzenecarbothioate
CID 2744390
2-tert-butyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 133331569
2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 79629137
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanal
CID 14347987
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55080424
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane?
The IUPAC name of trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane (CID 640487) is trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane.
What is the SMILES notation for trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane?
The canonical SMILES for trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane is C[Si](C)(C)Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane?
The InChIKey is NFTGOXVFNMUCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NSSi/c1-15(2,3)14-8-5-4-7(6-13-8)9(10,11)12/h4-6H,1-3H3.
What are the key properties of trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane?
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane has a molecular weight of 251.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane is sourced from PubChem (CID 640487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).