1-butan-2-yl-1-ethylthiourea

C7H16N2S — CID 43274502

IUPAC1-butan-2-yl-1-ethylthiourea
SMILESCCC(C)N(CC)C(N)=S
InChIInChI=1S/C7H16N2S/c1-4-6(3)9(5-2)7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
InChIKeyFJZDLTRNJRYERE-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.35
Rot. Bonds3

About 1-butan-2-yl-1-ethylthiourea

1-butan-2-yl-1-ethylthiourea (PubChem CID 43274502) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 1-butan-2-yl-1-ethylthiourea.

Molecular Properties

Compound Name1-butan-2-yl-1-ethylthiourea
PubChem CID43274502
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name1-butan-2-yl-1-ethylthiourea
SMILESCCC(C)N(CC)C(N)=S
InChIInChI=1S/C7H16N2S/c1-4-6(3)9(5-2)7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
InChIKeyFJZDLTRNJRYERE-UHFFFAOYSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-1-ethyl-2-hydroxyguanidine
CID 76944346
N-ethyl-N-prop-1-en-2-ylbutan-2-amine
CID 143392263
N-butan-2-yl-N-ethylcarbamoyl bromide
CID 140982150
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
3-[butan-2-yl(ethyl)amino]propanethioamide
CID 43274551
1-[carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
3-[butan-2-yl(methyl)amino]butanethioamide
CID 60913502
1,1-diethylthiourea;λ2-plumbane
CID 173060169
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
N-butan-2-yl-N-ethyl-3-oxobutanamide
CID 43274631

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-ethylthiourea?
The IUPAC name of 1-butan-2-yl-1-ethylthiourea (CID 43274502) is 1-butan-2-yl-1-ethylthiourea.
What is the SMILES notation for 1-butan-2-yl-1-ethylthiourea?
The canonical SMILES for 1-butan-2-yl-1-ethylthiourea is CCC(C)N(CC)C(N)=S.
What is the InChIKey of 1-butan-2-yl-1-ethylthiourea?
The InChIKey is FJZDLTRNJRYERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-4-6(3)9(5-2)7(8)10/h6H,4-5H2,1-3H3,(H2,8,10).
What are the key properties of 1-butan-2-yl-1-ethylthiourea?
1-butan-2-yl-1-ethylthiourea has a molecular weight of 160.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-ethylthiourea is sourced from PubChem (CID 43274502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).