1-(2-ethylphenyl)-3-nonylthiourea

C18H30N2S — CID 19651096

IUPAC1-(2-ethylphenyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)Nc1ccccc1CC
InChIInChI=1S/C18H30N2S/c1-3-5-6-7-8-9-12-15-19-18(21)20-17-14-11-10-13-16(17)4-2/h10-11,13-14H,3-9,12,15H2,1-2H3,(H2,19,20,21)
InChIKeyDCQLRERPOKEEPI-UHFFFAOYSA-N
MW306.52 g/mol
LogP5.29
Rot. Bonds10

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

1-(2-ethylphenyl)-3-nonylthiourea (PubChem CID 19651096) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-nonylthiourea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-nonylthiourea
PubChem CID19651096
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name1-(2-ethylphenyl)-3-nonylthiourea
SMILESCCCCCCCCCNC(=S)Nc1ccccc1CC
InChIInChI=1S/C18H30N2S/c1-3-5-6-7-8-9-12-15-19-18(21)20-17-14-11-10-13-16(17)4-2/h10-11,13-14H,3-9,12,15H2,1-2H3,(H2,19,20,21)
InChIKeyDCQLRERPOKEEPI-UHFFFAOYSA-N
XLogP5.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
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

1-(2-chlorophenyl)-3-nonylthiourea
CID 19651087
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
1-(3-chloro-2-methylphenyl)-3-dodecylthiourea
CID 19651379
1-(3-chloro-2-methylphenyl)-3-heptylthiourea
CID 19650849
1-[(Z)-octadec-9-enyl]-3-phenylthiourea
CID 155242561
N-(2-ethylphenyl)-2-(propylcarbamothioylamino)acetamide
CID 8675613
N-(2-ethylphenyl)undecanamide
CID 5078439
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
1-benzyl-3-undecylthiourea
CID 19651318
N-(2-ethylphenyl)heptanamide
CID 4582103

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-nonylthiourea?
The IUPAC name of 1-(2-ethylphenyl)-3-nonylthiourea (CID 19651096) is 1-(2-ethylphenyl)-3-nonylthiourea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-nonylthiourea?
The canonical SMILES for 1-(2-ethylphenyl)-3-nonylthiourea is CCCCCCCCCNC(=S)Nc1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)-3-nonylthiourea?
The InChIKey is DCQLRERPOKEEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-3-5-6-7-8-9-12-15-19-18(21)20-17-14-11-10-13-16(17)4-2/h10-11,13-14H,3-9,12,15H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-ethylphenyl)-3-nonylthiourea?
1-(2-ethylphenyl)-3-nonylthiourea has a molecular weight of 306.52 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-nonylthiourea is sourced from PubChem (CID 19651096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).