1-(2-methoxyethyl)-3-nonylthiourea

C13H28N2OS — CID 19651136

IUPAC1-(2-methoxyethyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)NCCOC
InChIInChI=1S/C13H28N2OS/c1-3-4-5-6-7-8-9-10-14-13(17)15-11-12-16-2/h3-12H2,1-2H3,(H2,14,15,17)
InChIKeyBIWSXJMTLZUBJO-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.85
Rot. Bonds11

About 1-(2-methoxyethyl)-3-nonylthiourea

1-(2-methoxyethyl)-3-nonylthiourea (PubChem CID 19651136) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-nonylthiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-nonylthiourea
PubChem CID19651136
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name1-(2-methoxyethyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)NCCOC
InChIInChI=1S/C13H28N2OS/c1-3-4-5-6-7-8-9-10-14-13(17)15-11-12-16-2/h3-12H2,1-2H3,(H2,14,15,17)
InChIKeyBIWSXJMTLZUBJO-UHFFFAOYSA-N
XLogP2.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.85
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

1-butyl-3-heptylthiourea
CID 19650868
1-hexyl-3-(hexylcarbamothioylamino)thiourea
CID 71356977
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-decyl-3-(2-hydroxyethyl)thiourea
CID 3473158
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-dodecyl-3-methylthiourea
CID 5151745
O-methyl N-octadecylcarbamothioate
CID 3568843
1-butyl-3-(2-ethenoxyethyl)thiourea
CID 14467739
1-(2-aminoethyl)-3-pentylthiourea
CID 87697549
1-amino-3-decylthiourea
CID 4614128
1-butyl-3-(butylcarbamothioylamino)thiourea
CID 5386096

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-nonylthiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-nonylthiourea (CID 19651136) is 1-(2-methoxyethyl)-3-nonylthiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-nonylthiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-nonylthiourea is CCCCCCCCCNC(=S)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-nonylthiourea?
The InChIKey is BIWSXJMTLZUBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-3-4-5-6-7-8-9-10-14-13(17)15-11-12-16-2/h3-12H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2-methoxyethyl)-3-nonylthiourea?
1-(2-methoxyethyl)-3-nonylthiourea has a molecular weight of 260.45 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-nonylthiourea is sourced from PubChem (CID 19651136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).