1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea

C14H24N2OS — CID 19651782

IUPAC1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea
SMILESCCCCC(CC)CNC(=S)NCc1ccco1
InChIInChI=1S/C14H24N2OS/c1-3-5-7-12(4-2)10-15-14(18)16-11-13-8-6-9-17-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H2,15,16,18)
InChIKeyMXVVFVYUAFXEKW-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.46
Rot. Bonds8

About 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea

1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea (PubChem CID 19651782) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea
PubChem CID19651782
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea
SMILESCCCCC(CC)CNC(=S)NCc1ccco1
InChIInChI=1S/C14H24N2OS/c1-3-5-7-12(4-2)10-15-14(18)16-11-13-8-6-9-17-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H2,15,16,18)
InChIKeyMXVVFVYUAFXEKW-UHFFFAOYSA-N
XLogP3.46
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.46
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-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111127674
1-[2-(dibutylamino)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 3488744
1-(2-ethylhexyl)-3-(4-methylphenyl)thiourea
CID 19651723
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
2-[[(2-ethylhexylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354972
3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
1-(3,3-dimethylbutan-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 17277646
1-(2-ethylhexyl)-3-(3-fluorophenyl)thiourea
CID 19651728
1-(3,5-dimethylphenyl)-3-(2-ethylhexyl)thiourea
CID 19651746
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea (CID 19651782) is 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea is CCCCC(CC)CNC(=S)NCc1ccco1.
What is the InChIKey of 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea?
The InChIKey is MXVVFVYUAFXEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-5-7-12(4-2)10-15-14(18)16-11-13-8-6-9-17-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea?
1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea has a molecular weight of 268.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 19651782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).