1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea

C11H24N2OS — CID 103461012

IUPAC1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC(C)(C)CNC(=S)NC(C)COC
InChIInChI=1S/C11H24N2OS/c1-6-11(3,4)8-12-10(15)13-9(2)7-14-5/h9H,6-8H2,1-5H3,(H2,12,13,15)
InChIKeyCVHPIDNUGKLWPH-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.92
Rot. Bonds6

About 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea

1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 103461012) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
PubChem CID103461012
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC(C)(C)CNC(=S)NC(C)COC
InChIInChI=1S/C11H24N2OS/c1-6-11(3,4)8-12-10(15)13-9(2)7-14-5/h9H,6-8H2,1-5H3,(H2,12,13,15)
InChIKeyCVHPIDNUGKLWPH-UHFFFAOYSA-N
XLogP1.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Methoxypropan-2-yl)-3-(4,4,4-trifluorobutyl)thiourea
CID 115662936
1-(2-Methoxyethyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 2168462
1-Propan-2-yl-3-(2-propoxyethyl)thiourea
CID 174272935
1-Butan-2-yl-3-(2-methoxyethyl)thiourea
CID 3669382
1-(3-Methoxypropyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 17279053
1-Cyclopentyl-3-(2-methoxyethyl)thiourea
CID 19650417
1-(2-Methoxyethyl)-3-propan-2-ylthiourea
CID 19650616
1-(2-Methoxyethyl)-3-(2-methylpropyl)thiourea
CID 19650635
1-Butyl-3-(2-methoxyethyl)thiourea
CID 19650659
1-Heptan-2-yl-3-(2-methoxyethyl)thiourea
CID 19650968
1-Tert-butyl-3-(2-methoxyethyl)thiourea
CID 19651906
1-(2-Methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea (CID 103461012) is 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea is CCC(C)(C)CNC(=S)NC(C)COC.
What is the InChIKey of 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is CVHPIDNUGKLWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-11(3,4)8-12-10(15)13-9(2)7-14-5/h9H,6-8H2,1-5H3,(H2,12,13,15).
What are the key properties of 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 232.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 103461012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).