[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate

C11H25NS2Si — CID 91733838

IUPAC[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NS2Si/c1-8-12(9-2)10(13)14-15(6,7)11(3,4)5/h8-9H2,1-7H3
InChIKeyYKNOGFHGMQWFDG-UHFFFAOYSA-N
MW263.55 g/mol
LogP4.35
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate

[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate (PubChem CID 91733838) has the molecular formula C11H25NS2Si and a molecular weight of 263.55 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate
PubChem CID91733838
Molecular FormulaC11H25NS2Si
Molecular Weight263.55 g/mol
Exact Mass263.12
IUPAC Name[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)S[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H25NS2Si/c1-8-12(9-2)10(13)14-15(6,7)11(3,4)5/h8-9H2,1-7H3
InChIKeyYKNOGFHGMQWFDG-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.55
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
CID 87918592
(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate
CID 54321887
(3-hydroxy-3-methylbutyl) N,N-diethylcarbamodithioate
CID 111753425
bis(diethylcarbamothioylsulfanyl)lead
CID 16685131
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;bis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate)
CID 174871842
S-(diethylcarbamothioylsulfanyl) N,N-diethylcarbamothioate
CID 122489157
[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate
CID 6329123
(2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide
CID 177383766
1,3-oxazol-2-yl N,N-diethylcarbamodithioate
CID 54265783
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
CID 90091780
3-hydroxypropyl N,N-diethylcarbamodithioate
CID 16726125
(cyclohexylamino) N,N-diethylcarbamodithioate
CID 12673937

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate?
The IUPAC name of [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate (CID 91733838) is [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)S[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate?
The InChIKey is YKNOGFHGMQWFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS2Si/c1-8-12(9-2)10(13)14-15(6,7)11(3,4)5/h8-9H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate?
[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate has a molecular weight of 263.55 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 91733838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).