cyclohexylthiourea

C7H14N2S — CID 1471603

IUPACcyclohexylthiourea
SMILESNC(=S)NC1CCCCC1
InChIInChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
InChIKeyLEEHHPPLIOFGSC-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.15
Rot. Bonds1

About cyclohexylthiourea

cyclohexylthiourea (PubChem CID 1471603) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is cyclohexylthiourea.

Molecular Properties

Compound Namecyclohexylthiourea
PubChem CID1471603
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Namecyclohexylthiourea
SMILESNC(=S)NC1CCCCC1
InChIInChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
InChIKeyLEEHHPPLIOFGSC-UHFFFAOYSA-N
XLogP1.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 cyclohexylthiourea?
The IUPAC name of cyclohexylthiourea (CID 1471603) is cyclohexylthiourea.
What is the SMILES notation for cyclohexylthiourea?
The canonical SMILES for cyclohexylthiourea is NC(=S)NC1CCCCC1.
What is the InChIKey of cyclohexylthiourea?
The InChIKey is LEEHHPPLIOFGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10).
What are the key properties of cyclohexylthiourea?
cyclohexylthiourea has a molecular weight of 158.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylthiourea is sourced from PubChem (CID 1471603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).