3-cyclohexyl-1-ethyl-1-methylthiourea

C10H20N2S — CID 91604895

IUPAC3-cyclohexyl-1-ethyl-1-methylthiourea
SMILESCCN(C)C(=S)NC1CCCCC1
InChIInChI=1S/C10H20N2S/c1-3-12(2)10(13)11-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyYGYZCWZQFLUNQB-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds2

About 3-cyclohexyl-1-ethyl-1-methylthiourea

3-cyclohexyl-1-ethyl-1-methylthiourea (PubChem CID 91604895) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-methylthiourea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-methylthiourea
PubChem CID91604895
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-cyclohexyl-1-ethyl-1-methylthiourea
SMILESCCN(C)C(=S)NC1CCCCC1
InChIInChI=1S/C10H20N2S/c1-3-12(2)10(13)11-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyYGYZCWZQFLUNQB-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.15
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 3-cyclohexyl-1-ethyl-1-methylthiourea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-methylthiourea (CID 91604895) is 3-cyclohexyl-1-ethyl-1-methylthiourea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-methylthiourea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-methylthiourea is CCN(C)C(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-methylthiourea?
The InChIKey is YGYZCWZQFLUNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-12(2)10(13)11-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 3-cyclohexyl-1-ethyl-1-methylthiourea?
3-cyclohexyl-1-ethyl-1-methylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-methylthiourea is sourced from PubChem (CID 91604895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).