1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea

C10H20N2OS — CID 12018510

IUPAC1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NCCO
InChIInChI=1S/C10H20N2OS/c1-8-4-2-3-5-9(8)12-10(14)11-6-7-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)
InChIKeyDKIUBAMBYNMVLE-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea

1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea (PubChem CID 12018510) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea
PubChem CID12018510
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NCCO
InChIInChI=1S/C10H20N2OS/c1-8-4-2-3-5-9(8)12-10(14)11-6-7-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)
InChIKeyDKIUBAMBYNMVLE-UHFFFAOYSA-N
XLogP1.02
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
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-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea (CID 12018510) is 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea is CC1CCCCC1NC(=S)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea?
The InChIKey is DKIUBAMBYNMVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-4-2-3-5-9(8)12-10(14)11-6-7-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea?
1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea has a molecular weight of 216.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-methylcyclohexyl)thiourea is sourced from PubChem (CID 12018510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).