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

C11H24N2OS — CID 115642333

IUPAC1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)NCC(C)C(C)C
InChIInChI=1S/C11H24N2OS/c1-8(2)9(3)6-12-11(15)13-10(4)7-14-5/h8-10H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyGIEYLWIFYDTOOC-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.78
Rot. Bonds6

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

1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 115642333) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
PubChem CID115642333
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)NCC(C)C(C)C
InChIInChI=1S/C11H24N2OS/c1-8(2)9(3)6-12-11(15)13-10(4)7-14-5/h8-10H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyGIEYLWIFYDTOOC-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea (CID 115642333) is 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea is COCC(C)NC(=S)NCC(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is GIEYLWIFYDTOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-8(2)9(3)6-12-11(15)13-10(4)7-14-5/h8-10H,6-7H2,1-5H3,(H2,12,13,15).
What are the key properties of 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea?
1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 232.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 115642333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).