2-butoxyethanethioamide

C6H13NOS — CID 43267695

IUPAC2-butoxyethanethioamide
SMILESCCCCOCC(N)=S
InChIInChI=1S/C6H13NOS/c1-2-3-4-8-5-6(7)9/h2-5H2,1H3,(H2,7,9)
InChIKeyLSWJUMGQDJIAIC-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.09
Rot. Bonds5

About 2-butoxyethanethioamide

2-butoxyethanethioamide (PubChem CID 43267695) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-butoxyethanethioamide.

Molecular Properties

Compound Name2-butoxyethanethioamide
PubChem CID43267695
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-butoxyethanethioamide
SMILESCCCCOCC(N)=S
InChIInChI=1S/C6H13NOS/c1-2-3-4-8-5-6(7)9/h2-5H2,1H3,(H2,7,9)
InChIKeyLSWJUMGQDJIAIC-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propoxyethoxy)ethanethioamide
CID 63686022
3-hexoxypropanethioamide
CID 29002450
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
CID 104563118
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
3-butoxypropanamide;ethane
CID 176554640
4-butoxybutane-2-thione
CID 157473221
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
3-(2-butoxyethoxy)-2-methylpropanethioamide
CID 43175344
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1-butoxybutane;triiodoalumane
CID 139244108
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanethioamide?
The IUPAC name of 2-butoxyethanethioamide (CID 43267695) is 2-butoxyethanethioamide.
What is the SMILES notation for 2-butoxyethanethioamide?
The canonical SMILES for 2-butoxyethanethioamide is CCCCOCC(N)=S.
What is the InChIKey of 2-butoxyethanethioamide?
The InChIKey is LSWJUMGQDJIAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-3-4-8-5-6(7)9/h2-5H2,1H3,(H2,7,9).
What are the key properties of 2-butoxyethanethioamide?
2-butoxyethanethioamide has a molecular weight of 147.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanethioamide is sourced from PubChem (CID 43267695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).