1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione

C12H28O2SSi2 — CID 159827081

IUPAC1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione
SMILESCO[SiH](CCCC(=S)[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C12H28O2SSi2/c1-12(2,3)17(6,7)11(15)9-8-10-16(13-4)14-5/h16H,8-10H2,1-7H3
InChIKeyNMZAKICVCSWHJC-UHFFFAOYSA-N
MW292.59 g/mol
LogP3.70
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione

1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione (PubChem CID 159827081) has the molecular formula C12H28O2SSi2 and a molecular weight of 292.59 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione
PubChem CID159827081
Molecular FormulaC12H28O2SSi2
Molecular Weight292.59 g/mol
Exact Mass292.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione
SMILESCO[SiH](CCCC(=S)[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C12H28O2SSi2/c1-12(2,3)17(6,7)11(15)9-8-10-16(13-4)14-5/h16H,8-10H2,1-7H3
InChIKeyNMZAKICVCSWHJC-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tris(3-dimethoxysilylpropyl)-methylsilane
CID 123689952
[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane
CID 123733042
tris(5-dimethoxysilylpentyl)silane
CID 123895491
heptadecyl(dimethoxy)silane
CID 173012112
docosyl(dimethoxy)silane
CID 150688039
dimethoxy(pentyl)silane;methanamine
CID 175165037
3-diethoxysilylpropyl(dimethoxy)silane
CID 59537920
[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane
CID 123296644
3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane
CID 157097284
6-dimethoxysilylhexane-1,3-diamine
CID 123164689
4-dimethoxysilyl-N,N-dimethylbutan-1-amine
CID 150995989
3-(3-dimethoxysilylpropyltrisulfanyl)propyl-dimethoxysilane
CID 150262793

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione (CID 159827081) is 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione is CO[SiH](CCCC(=S)[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione?
The InChIKey is NMZAKICVCSWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2SSi2/c1-12(2,3)17(6,7)11(15)9-8-10-16(13-4)14-5/h16H,8-10H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione?
1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione has a molecular weight of 292.59 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione is sourced from PubChem (CID 159827081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).