furan-2-ylmethylthiourea

C6H8N2OS — CID 717699

IUPACfuran-2-ylmethylthiourea
SMILESNC(=S)NCc1ccco1
InChIInChI=1S/C6H8N2OS/c7-6(10)8-4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8,10)
InChIKeyXSWHIPZJAMCLRZ-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.61
Rot. Bonds2

About furan-2-ylmethylthiourea

furan-2-ylmethylthiourea (PubChem CID 717699) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is furan-2-ylmethylthiourea.

Molecular Properties

Compound Namefuran-2-ylmethylthiourea
PubChem CID717699
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Namefuran-2-ylmethylthiourea
SMILESNC(=S)NCc1ccco1
InChIInChI=1S/C6H8N2OS/c7-6(10)8-4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8,10)
InChIKeyXSWHIPZJAMCLRZ-UHFFFAOYSA-N
XLogP0.61
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.61
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 furan-2-ylmethylthiourea?
The IUPAC name of furan-2-ylmethylthiourea (CID 717699) is furan-2-ylmethylthiourea.
What is the SMILES notation for furan-2-ylmethylthiourea?
The canonical SMILES for furan-2-ylmethylthiourea is NC(=S)NCc1ccco1.
What is the InChIKey of furan-2-ylmethylthiourea?
The InChIKey is XSWHIPZJAMCLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-6(10)8-4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8,10).
What are the key properties of furan-2-ylmethylthiourea?
furan-2-ylmethylthiourea has a molecular weight of 156.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethylthiourea is sourced from PubChem (CID 717699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).