3-(furan-2-ylmethyl)-1,1-dipropylthiourea

C12H20N2OS — CID 19653033

IUPAC3-(furan-2-ylmethyl)-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NCc1ccco1
InChIInChI=1S/C12H20N2OS/c1-3-7-14(8-4-2)12(16)13-10-11-6-5-9-15-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,13,16)
InChIKeyAHBNRLAHUJAUNM-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.78
Rot. Bonds6

About 3-(furan-2-ylmethyl)-1,1-dipropylthiourea

3-(furan-2-ylmethyl)-1,1-dipropylthiourea (PubChem CID 19653033) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1,1-dipropylthiourea.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1,1-dipropylthiourea
PubChem CID19653033
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-(furan-2-ylmethyl)-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NCc1ccco1
InChIInChI=1S/C12H20N2OS/c1-3-7-14(8-4-2)12(16)13-10-11-6-5-9-15-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,13,16)
InChIKeyAHBNRLAHUJAUNM-UHFFFAOYSA-N
XLogP2.78
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dibutylamino)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 3488744
1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea
CID 7943561
1-benzyl-1-(2-cyanoethyl)-3-(furan-2-ylmethyl)thiourea
CID 74226869
2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid
CID 119204949
N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
CID 58911707
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
CID 23883035
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
2-(furan-2-yl)-N,N-dipropylacetamide
CID 110690666
1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
CID 17385332

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1,1-dipropylthiourea?
The IUPAC name of 3-(furan-2-ylmethyl)-1,1-dipropylthiourea (CID 19653033) is 3-(furan-2-ylmethyl)-1,1-dipropylthiourea.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1,1-dipropylthiourea?
The canonical SMILES for 3-(furan-2-ylmethyl)-1,1-dipropylthiourea is CCCN(CCC)C(=S)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1,1-dipropylthiourea?
The InChIKey is AHBNRLAHUJAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-7-14(8-4-2)12(16)13-10-11-6-5-9-15-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,13,16).
What are the key properties of 3-(furan-2-ylmethyl)-1,1-dipropylthiourea?
3-(furan-2-ylmethyl)-1,1-dipropylthiourea has a molecular weight of 240.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1,1-dipropylthiourea is sourced from PubChem (CID 19653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).