1,3-dibutyl-1-(2-hydroxyethyl)thiourea

C11H24N2OS — CID 88695848

IUPAC1,3-dibutyl-1-(2-hydroxyethyl)thiourea
SMILESCCCCNC(=S)N(CCO)CCCC
InChIInChI=1S/C11H24N2OS/c1-3-5-7-12-11(15)13(9-10-14)8-6-4-2/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyYMVNKSZBKINJGK-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds8

About 1,3-dibutyl-1-(2-hydroxyethyl)thiourea

1,3-dibutyl-1-(2-hydroxyethyl)thiourea (PubChem CID 88695848) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1,3-dibutyl-1-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1,3-dibutyl-1-(2-hydroxyethyl)thiourea
PubChem CID88695848
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1,3-dibutyl-1-(2-hydroxyethyl)thiourea
SMILESCCCCNC(=S)N(CCO)CCCC
InChIInChI=1S/C11H24N2OS/c1-3-5-7-12-11(15)13(9-10-14)8-6-4-2/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyYMVNKSZBKINJGK-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
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

N-butyl-N'-(2-hydroxy-1,1-dimethylethyl)thiourea
CID 2173953
1-(2-Hydroxyethyl)-3-propylthiourea
CID 2824653
N-methyl-N'-2-hydroxypropylthiourea
CID 4485742
N-Butyl-N-Hydroxyathylthioharnstoff
CID 129889548
1-Ethyl-3-(2-hydroxyethyl)thiourea
CID 3281145
3-[Bis(2-hydroxyethyl)carbamothioyl]-1,1-dimethylthiourea
CID 134890913
1-(2-Hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
2,5-Diazahexan-1,6-dithionic amide, 2-[2-hydroxyethyl]-N,N'-dimethyl-
CID 5377232
n-Decyl-n'-(2-hydroxyethyl)thiourea
CID 3473158
2-{(2-Hydroxyethyl)[(methylamino)thioxomethyl]amino}ethan-1-ol
CID 4247442
1-(2-Hydroxyethyl)-3-methylthiourea
CID 4485431
2,2-Bis(butylamino)ethanol
CID 18172892

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-1-(2-hydroxyethyl)thiourea?
The IUPAC name of 1,3-dibutyl-1-(2-hydroxyethyl)thiourea (CID 88695848) is 1,3-dibutyl-1-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1,3-dibutyl-1-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1,3-dibutyl-1-(2-hydroxyethyl)thiourea is CCCCNC(=S)N(CCO)CCCC.
What is the InChIKey of 1,3-dibutyl-1-(2-hydroxyethyl)thiourea?
The InChIKey is YMVNKSZBKINJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-5-7-12-11(15)13(9-10-14)8-6-4-2/h14H,3-10H2,1-2H3,(H,12,15).
What are the key properties of 1,3-dibutyl-1-(2-hydroxyethyl)thiourea?
1,3-dibutyl-1-(2-hydroxyethyl)thiourea has a molecular weight of 232.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-1-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 88695848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).