1,1-dicyclohexylthiourea

C13H24N2S — CID 3847649

IUPAC1,1-dicyclohexylthiourea
SMILESNC(=S)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,16)
InChIKeyAZERQDZCGIDXHT-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.20
Rot. Bonds2

About 1,1-dicyclohexylthiourea

1,1-dicyclohexylthiourea (PubChem CID 3847649) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1,1-dicyclohexylthiourea.

Molecular Properties

Compound Name1,1-dicyclohexylthiourea
PubChem CID3847649
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1,1-dicyclohexylthiourea
SMILESNC(=S)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,16)
InChIKeyAZERQDZCGIDXHT-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
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 1,1-dicyclohexylthiourea?
The IUPAC name of 1,1-dicyclohexylthiourea (CID 3847649) is 1,1-dicyclohexylthiourea.
What is the SMILES notation for 1,1-dicyclohexylthiourea?
The canonical SMILES for 1,1-dicyclohexylthiourea is NC(=S)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylthiourea?
The InChIKey is AZERQDZCGIDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,16).
What are the key properties of 1,1-dicyclohexylthiourea?
1,1-dicyclohexylthiourea has a molecular weight of 240.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylthiourea is sourced from PubChem (CID 3847649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).