2-trimethylsilyloxybenzenecarbothioamide

C10H15NOSSi — CID 167731480

IUPAC2-trimethylsilyloxybenzenecarbothioamide
SMILESC[Si](C)(C)Oc1ccccc1C(N)=S
InChIInChI=1S/C10H15NOSSi/c1-14(2,3)12-9-7-5-4-6-8(9)10(11)13/h4-7H,1-3H3,(H2,11,13)
InChIKeyRNWKBHRHBKGDAE-UHFFFAOYSA-N
MW225.39 g/mol
LogP2.53
Rot. Bonds3

About 2-trimethylsilyloxybenzenecarbothioamide

2-trimethylsilyloxybenzenecarbothioamide (PubChem CID 167731480) has the molecular formula C10H15NOSSi and a molecular weight of 225.39 g/mol. Its IUPAC name is 2-trimethylsilyloxybenzenecarbothioamide.

Molecular Properties

Compound Name2-trimethylsilyloxybenzenecarbothioamide
PubChem CID167731480
Molecular FormulaC10H15NOSSi
Molecular Weight225.39 g/mol
Exact Mass225.06
IUPAC Name2-trimethylsilyloxybenzenecarbothioamide
SMILESC[Si](C)(C)Oc1ccccc1C(N)=S
InChIInChI=1S/C10H15NOSSi/c1-14(2,3)12-9-7-5-4-6-8(9)10(11)13/h4-7H,1-3H3,(H2,11,13)
InChIKeyRNWKBHRHBKGDAE-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxybenzenecarbothioamide?
The IUPAC name of 2-trimethylsilyloxybenzenecarbothioamide (CID 167731480) is 2-trimethylsilyloxybenzenecarbothioamide.
What is the SMILES notation for 2-trimethylsilyloxybenzenecarbothioamide?
The canonical SMILES for 2-trimethylsilyloxybenzenecarbothioamide is C[Si](C)(C)Oc1ccccc1C(N)=S.
What is the InChIKey of 2-trimethylsilyloxybenzenecarbothioamide?
The InChIKey is RNWKBHRHBKGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOSSi/c1-14(2,3)12-9-7-5-4-6-8(9)10(11)13/h4-7H,1-3H3,(H2,11,13).
What are the key properties of 2-trimethylsilyloxybenzenecarbothioamide?
2-trimethylsilyloxybenzenecarbothioamide has a molecular weight of 225.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxybenzenecarbothioamide is sourced from PubChem (CID 167731480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).