N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide

C12H18ClNSSi — CID 102163289

IUPACN-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide
SMILESC[Si](C)(C)C(=S)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNSSi/c1-16(2,3)12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeySLEILNWRGVIBTO-UHFFFAOYSA-N
MW271.89 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide

N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide (PubChem CID 102163289) has the molecular formula C12H18ClNSSi and a molecular weight of 271.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide
PubChem CID102163289
Molecular FormulaC12H18ClNSSi
Molecular Weight271.89 g/mol
Exact Mass271.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide
SMILESC[Si](C)(C)C(=S)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNSSi/c1-16(2,3)12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeySLEILNWRGVIBTO-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-chloro-4-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]thiourea
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide (CID 102163289) is N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide is C[Si](C)(C)C(=S)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide?
The InChIKey is SLEILNWRGVIBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNSSi/c1-16(2,3)12(15)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide?
N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide has a molecular weight of 271.89 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-trimethylsilylmethanethioamide is sourced from PubChem (CID 102163289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).