4-tri(propan-2-yl)silyloxybutanethioamide

C13H29NOSSi — CID 146014175

IUPAC4-tri(propan-2-yl)silyloxybutanethioamide
SMILESCC(C)[Si](OCCCC(N)=S)(C(C)C)C(C)C
InChIInChI=1S/C13H29NOSSi/c1-10(2)17(11(3)4,12(5)6)15-9-7-8-13(14)16/h10-12H,7-9H2,1-6H3,(H2,14,16)
InChIKeyQHNXIILCUYMVSS-UHFFFAOYSA-N
MW275.53 g/mol
LogP4.24
Rot. Bonds8

About 4-tri(propan-2-yl)silyloxybutanethioamide

4-tri(propan-2-yl)silyloxybutanethioamide (PubChem CID 146014175) has the molecular formula C13H29NOSSi and a molecular weight of 275.53 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxybutanethioamide.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxybutanethioamide
PubChem CID146014175
Molecular FormulaC13H29NOSSi
Molecular Weight275.53 g/mol
Exact Mass275.17
IUPAC Name4-tri(propan-2-yl)silyloxybutanethioamide
SMILESCC(C)[Si](OCCCC(N)=S)(C(C)C)C(C)C
InChIInChI=1S/C13H29NOSSi/c1-10(2)17(11(3)4,12(5)6)15-9-7-8-13(14)16/h10-12H,7-9H2,1-6H3,(H2,14,16)
InChIKeyQHNXIILCUYMVSS-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromohexoxy-tri(propan-2-yl)silane
CID 89400609
4-tri(propan-2-yl)silyloxybutan-2-one
CID 13398602
6-chlorohexoxy-tri(propan-2-yl)silane
CID 89400729
4-(3-methoxypropoxy)butanethioamide
CID 60917615
4-(2-methoxyethoxy)butanethioamide
CID 24699894
4-(4-propan-2-ylphenoxy)butanethioamide
CID 24692673
(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane
CID 76597874
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100
pentanethioamide;hydrochloride
CID 140974365
4-hydroxypentanethioamide
CID 57055107
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
4-(cyclopentylmethoxy)butanethioamide
CID 66323487

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxybutanethioamide?
The IUPAC name of 4-tri(propan-2-yl)silyloxybutanethioamide (CID 146014175) is 4-tri(propan-2-yl)silyloxybutanethioamide.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxybutanethioamide?
The canonical SMILES for 4-tri(propan-2-yl)silyloxybutanethioamide is CC(C)[Si](OCCCC(N)=S)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxybutanethioamide?
The InChIKey is QHNXIILCUYMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOSSi/c1-10(2)17(11(3)4,12(5)6)15-9-7-8-13(14)16/h10-12H,7-9H2,1-6H3,(H2,14,16).
What are the key properties of 4-tri(propan-2-yl)silyloxybutanethioamide?
4-tri(propan-2-yl)silyloxybutanethioamide has a molecular weight of 275.53 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxybutanethioamide is sourced from PubChem (CID 146014175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).