2-methylsulfanyl-N-trimethylsilylaniline

C10H17NSSi — CID 22717583

IUPAC2-methylsulfanyl-N-trimethylsilylaniline
SMILESCSc1ccccc1N[Si](C)(C)C
InChIInChI=1S/C10H17NSSi/c1-12-10-8-6-5-7-9(10)11-13(2,3)4/h5-8,11H,1-4H3
InChIKeyGEOTXQQZXOCMIL-UHFFFAOYSA-N
MW211.41 g/mol
LogP3.66
Rot. Bonds3

About 2-methylsulfanyl-N-trimethylsilylaniline

2-methylsulfanyl-N-trimethylsilylaniline (PubChem CID 22717583) has the molecular formula C10H17NSSi and a molecular weight of 211.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-trimethylsilylaniline.

Molecular Properties

Compound Name2-methylsulfanyl-N-trimethylsilylaniline
PubChem CID22717583
Molecular FormulaC10H17NSSi
Molecular Weight211.41 g/mol
Exact Mass211.09
IUPAC Name2-methylsulfanyl-N-trimethylsilylaniline
SMILESCSc1ccccc1N[Si](C)(C)C
InChIInChI=1S/C10H17NSSi/c1-12-10-8-6-5-7-9(10)11-13(2,3)4/h5-8,11H,1-4H3
InChIKeyGEOTXQQZXOCMIL-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
N-methoxy-2-methylsulfanylaniline
CID 142183947
N-tert-butyl-2-methylsulfanylaniline
CID 121217265
2-N,3-N-bis(trimethylsilyl)naphthalene-2,3-diamine
CID 91696929
2-methylsulfanyl-N-(trifluoromethyl)aniline
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2-hydrazinyl-7-methylsulfanylcyclohepta-2,4,6-trien-1-one
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2-methylsulfanyl-N-(propan-2-ylideneamino)aniline
CID 130677870
N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
CID 102868390
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 103604907
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-trimethylsilylaniline?
The IUPAC name of 2-methylsulfanyl-N-trimethylsilylaniline (CID 22717583) is 2-methylsulfanyl-N-trimethylsilylaniline.
What is the SMILES notation for 2-methylsulfanyl-N-trimethylsilylaniline?
The canonical SMILES for 2-methylsulfanyl-N-trimethylsilylaniline is CSc1ccccc1N[Si](C)(C)C.
What is the InChIKey of 2-methylsulfanyl-N-trimethylsilylaniline?
The InChIKey is GEOTXQQZXOCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NSSi/c1-12-10-8-6-5-7-9(10)11-13(2,3)4/h5-8,11H,1-4H3.
What are the key properties of 2-methylsulfanyl-N-trimethylsilylaniline?
2-methylsulfanyl-N-trimethylsilylaniline has a molecular weight of 211.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-trimethylsilylaniline is sourced from PubChem (CID 22717583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).