1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea

C12H24N2S — CID 19652807

IUPAC1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea
SMILESCCC(C)(C)NC(=S)NC1CCCCC1
InChIInChI=1S/C12H24N2S/c1-4-12(2,3)14-11(15)13-10-8-6-5-7-9-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyQLRRXXXBZXELME-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.97
Rot. Bonds3

About 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea

1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea (PubChem CID 19652807) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea
PubChem CID19652807
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea
SMILESCCC(C)(C)NC(=S)NC1CCCCC1
InChIInChI=1S/C12H24N2S/c1-4-12(2,3)14-11(15)13-10-8-6-5-7-9-10/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyQLRRXXXBZXELME-UHFFFAOYSA-N
XLogP2.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea
CID 116510121
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cyclopentyl-3-(2,2-difluoropropyl)thiourea
CID 164654773
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
2-(cyclohexylcarbamothioylamino)ethyl-diethylazanium
CID 2350192
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 104859022
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cyclopentyl-3-heptylthiourea
CID 19650876
1-[5-[2-[2-(2-cycloheptylbutan-2-yl)cyclobutyl]propan-2-yl]cyclooctyl]-3-methylthiourea
CID 155475567

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea (CID 19652807) is 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea is CCC(C)(C)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea?
The InChIKey is QLRRXXXBZXELME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-4-12(2,3)14-11(15)13-10-8-6-5-7-9-10/h10H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea?
1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea has a molecular weight of 228.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methylbutan-2-yl)thiourea is sourced from PubChem (CID 19652807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).