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

C12H18N2OS — CID 2067940

IUPAC1-cyclohexyl-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)NC1CCCCC1
InChIInChI=1S/C12H18N2OS/c16-12(13-9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,13,14,16)
InChIKeyDKDGIRZQJZLONG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.58
Rot. Bonds3

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

1-cyclohexyl-3-(furan-2-ylmethyl)thiourea (PubChem CID 2067940) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(furan-2-ylmethyl)thiourea
PubChem CID2067940
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-cyclohexyl-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)NC1CCCCC1
InChIInChI=1S/C12H18N2OS/c16-12(13-9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,13,14,16)
InChIKeyDKDGIRZQJZLONG-UHFFFAOYSA-N
XLogP2.58
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.58
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 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea (CID 2067940) is 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea is S=C(NCc1ccco1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea?
The InChIKey is DKDGIRZQJZLONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c16-12(13-9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,13,14,16).
What are the key properties of 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea?
1-cyclohexyl-3-(furan-2-ylmethyl)thiourea has a molecular weight of 238.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 2067940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).