1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea

C12H24N2S — CID 115624400

IUPAC1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea
SMILESCCCCNC(=S)NC(CC)CC1CC1
InChIInChI=1S/C12H24N2S/c1-3-5-8-13-12(15)14-11(4-2)9-10-6-7-10/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyNQDVSMQYPQPLST-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.83
Rot. Bonds7

About 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea

1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea (PubChem CID 115624400) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea
PubChem CID115624400
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea
SMILESCCCCNC(=S)NC(CC)CC1CC1
InChIInChI=1S/C12H24N2S/c1-3-5-8-13-12(15)14-11(4-2)9-10-6-7-10/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyNQDVSMQYPQPLST-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-butyl-3-[2-(4-methylcyclohexyl)ethyl]thiourea
CID 116508788
1-pentan-3-yl-3-propylthiourea
CID 19652880
1-butyl-3-heptan-2-ylthiourea
CID 19650957
1-(3-cyclopropylpropyl)-3-propylthiourea
CID 115635620
1-butyl-3-(butylcarbamothioylamino)thiourea
CID 5386096
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-butylthiourea
CID 19651483
1-decyl-3-propan-2-ylthiourea
CID 17268723
2-(butylcarbamothioylamino)-3-methylbutanamide
CID 106344679
1-butyl-3-heptylthiourea
CID 19650868
1-cyclopropyl-3-pentylthiourea
CID 19650722
1-(3-cyclopropylpropyl)-3-ethylthiourea
CID 115635630
1-[1-(1-adamantyl)butyl]-3-butylthiourea
CID 17283790

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea?
The IUPAC name of 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea (CID 115624400) is 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea.
What is the SMILES notation for 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea?
The canonical SMILES for 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea is CCCCNC(=S)NC(CC)CC1CC1.
What is the InChIKey of 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea?
The InChIKey is NQDVSMQYPQPLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-5-8-13-12(15)14-11(4-2)9-10-6-7-10/h10-11H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea?
1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea has a molecular weight of 228.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea is sourced from PubChem (CID 115624400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).