1-cyclohexyl-3-methylidenethiourea

C8H14N2S — CID 154479330

IUPAC1-cyclohexyl-3-methylidenethiourea
SMILESC=NC(=S)NC1CCCCC1
InChIInChI=1S/C8H14N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,1-6H2,(H,10,11)
InChIKeyUEJYLCAVLCTTOT-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.89
Rot. Bonds1

About 1-cyclohexyl-3-methylidenethiourea

1-cyclohexyl-3-methylidenethiourea (PubChem CID 154479330) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylidenethiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-methylidenethiourea
PubChem CID154479330
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-cyclohexyl-3-methylidenethiourea
SMILESC=NC(=S)NC1CCCCC1
InChIInChI=1S/C8H14N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,1-6H2,(H,10,11)
InChIKeyUEJYLCAVLCTTOT-UHFFFAOYSA-N
XLogP1.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylidenethiourea?
The IUPAC name of 1-cyclohexyl-3-methylidenethiourea (CID 154479330) is 1-cyclohexyl-3-methylidenethiourea.
What is the SMILES notation for 1-cyclohexyl-3-methylidenethiourea?
The canonical SMILES for 1-cyclohexyl-3-methylidenethiourea is C=NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methylidenethiourea?
The InChIKey is UEJYLCAVLCTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,1-6H2,(H,10,11).
What are the key properties of 1-cyclohexyl-3-methylidenethiourea?
1-cyclohexyl-3-methylidenethiourea has a molecular weight of 170.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylidenethiourea is sourced from PubChem (CID 154479330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).