3-butyl-1-cyclohexyl-1-methylthiourea

C12H24N2S — CID 43835938

IUPAC3-butyl-1-cyclohexyl-1-methylthiourea
SMILESCCCCNC(=S)N(C)C1CCCCC1
InChIInChI=1S/C12H24N2S/c1-3-4-10-13-12(15)14(2)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyUCTLSDKULNFPJA-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.93
Rot. Bonds4

About 3-butyl-1-cyclohexyl-1-methylthiourea

3-butyl-1-cyclohexyl-1-methylthiourea (PubChem CID 43835938) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-butyl-1-cyclohexyl-1-methylthiourea.

Molecular Properties

Compound Name3-butyl-1-cyclohexyl-1-methylthiourea
PubChem CID43835938
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-butyl-1-cyclohexyl-1-methylthiourea
SMILESCCCCNC(=S)N(C)C1CCCCC1
InChIInChI=1S/C12H24N2S/c1-3-4-10-13-12(15)14(2)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyUCTLSDKULNFPJA-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
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

3-butyl-1,1-dicyclohexylthiourea
CID 5219078
3-butyl-1-methyl-1-(oxolan-3-yl)thiourea
CID 115617017
1-cycloheptyl-1-methyl-3-(2-methylpropyl)thiourea
CID 115576097
1-cycloheptyl-1,3-dimethylthiourea
CID 115576089
1-cyclohexyl-1-methyl-3-(2-phenylsulfanylethyl)thiourea
CID 18282704
3-butyl-1-hydroxy-1-methylthiourea
CID 26793617
3-(3-ethoxypropyl)-1-methyl-1-(oxan-4-yl)thiourea
CID 115669232
3-butyl-1,1-dicyclohexyl-2-methylguanidine
CID 89443004
3-amino-1-cyclopentyl-1-methylthiourea
CID 19847577
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
CID 4778356
1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
CID 23883035

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-cyclohexyl-1-methylthiourea?
The IUPAC name of 3-butyl-1-cyclohexyl-1-methylthiourea (CID 43835938) is 3-butyl-1-cyclohexyl-1-methylthiourea.
What is the SMILES notation for 3-butyl-1-cyclohexyl-1-methylthiourea?
The canonical SMILES for 3-butyl-1-cyclohexyl-1-methylthiourea is CCCCNC(=S)N(C)C1CCCCC1.
What is the InChIKey of 3-butyl-1-cyclohexyl-1-methylthiourea?
The InChIKey is UCTLSDKULNFPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-4-10-13-12(15)14(2)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 3-butyl-1-cyclohexyl-1-methylthiourea?
3-butyl-1-cyclohexyl-1-methylthiourea has a molecular weight of 228.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-cyclohexyl-1-methylthiourea is sourced from PubChem (CID 43835938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).